4-(Anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

Catalog Number	ACM1268693248
CAS	1268693-24-8
Synonyms	Rac-AntPhos; 4-(9-Anthracenyl)-3-(1,1-Dimethylethyl)-2,3-Dihydro-1,3-Benzoxaphosphole
IUPAC Name	4-anthracen-9-yl-3-tert-butyl-2H-1,3-benzoxaphosphole
Molecular Weight	370.42
Molecular Formula	C25H23OP
InChI	HKAWVLHXUZNLPP-UHFFFAOYSA-N
InChI Key	InChI=1S/C25H23OP/c1-25(2,3)27-16-26-22-14-8-13-21(24(22)27)23-19-11-6-4-9-17(19)15-18-10-5-7-12-20(18)23/h4-15H,16H2,1-3H3
Boiling Point	525.7±50.0 °C(Predicted)
Purity	97%+
Appearance	Solid
Isomeric SMILES	CC(C)(C)P1COC2=CC=CC(=C21)C3=C4C=CC=CC4=CC5=CC=CC=C53

Q&A

What is the Exact Mass of the compound 4-(Anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The Exact Mass is 370.148652351.

How many Heavy Atom Count are present in the compound 4-(Anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

There are 27 Heavy Atom Count in the compound.

What is the value of the XLogP3 for the compound 4-(Anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The XLogP3 value for the compound is 6.4.

What is the Canonical SMILES representation of the compound 4-(Anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The Canonical SMILES representation is: CC(C)(C)P1COC2=CC=CC(=C21)C3=C4C=CC=CC4=CC5=CC=CC=C53

What is the IUPAC Name of the compound 4-(Anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The IUPAC Name is 4-anthracen-9-yl-3-tert-butyl-2H-1,3-benzoxaphosphole.

What is the Molecular Formula of the compound 4-(Anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The Molecular Formula is C25H23OP.

What is the Molecular Weight of the compound 4-(Anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The Molecular Weight is 370.4g/mol.

How many Rotatable Bond Count are present in the compound?

There are 2 Rotatable Bond Count.

How many Hydrogen Bond Acceptor Count are present in the compound?

There is 1 Hydrogen Bond Acceptor Count.