3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide

Catalog Number	ACM2445479694
CAS	2445479-69-4
IUPAC Name	3,8-dibromo-12-hydroxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide
Molecular Weight	472.06
Molecular Formula	C17H13Br2O4P
InChI	XCSUCLIEHAYWSJ-UHFFFAOYSA-N
InChI Key	InChI=1S/C17H13Br2O4P/c18-11-1-3-13-15-9(11)5-7-17(15)8-6-10-12(19)2-4-14(16(10)17)23-24(20,21)22-13/h1-4H,5-8H2,(H,20,21)
Purity	98%
Isomeric SMILES	C1CC23CCC4=C(C=CC(=C42)OP(=O)(OC5=C3C1=C(C=C5)Br)O)Br

Q&A

What is the molecular formula of 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

The molecular formula is C17H13Br2O4P.

What is the molecular weight of 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

The molecular weight is 472.1g/mol.

What is the exact mass of 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

The exact mass is 471.88977.

What is the Canonical SMILES representation of 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

The Canonical SMILES is C1CC23CCC4=C(C=CC(=C42)OP(=O)(OC5=C3C1=C(C=C5)Br)O)Br.

How many covalently-bonded units are present in 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

There is 1 covalently-bonded unit.

How many hydrogen bond acceptors are present in 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

There are 4 hydrogen bond acceptors.

What is the XLogP3 value of 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

The XLogP3 value is 4.9.

What is the InChIKey of 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

The InChIKey is XCSUCLIEHAYWSJ-UHFFFAOYSA-N.

What are the Depositor-Supplied Synonyms of 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

The Depositor-Supplied Synonyms are 2445479-69-4 and Diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, 1,9-dibromo-10,11,12,13-tetrahydro-5-hydroxy-, 5-oxide, (11aS)-.

What is the IUPAC Name of 3,8-Dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?

The IUPAC Name is 3,8-dibromo-12-hydroxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide.