Phosphonic acid, P-(4-bromophenyl)-,diethyl ester

Catalog Number	ACM20677127-1
CAS	20677-12-7
Structure
Synonyms	Diethyl (4-bromophenyl)phosphonate; 1-Bromo-4-diethoxyphosphorylbenzene
IUPAC Name	1-bromo-4-diethoxyphosphorylbenzene
Molecular Weight	293.09
Molecular Formula	C10H14O3PBr
InChI	WBJRWCXJMRZDPA-UHFFFAOYSA-N
InChI Key	InChI=1S/C10H14BrO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
Boiling Point	120 °C at 0.4 mmHg(lit.)
Melting Point	73-75 °C
Purity	98%+
Density	1.41 g/mL
Appearance	Liquid
Isomeric SMILES	CCOP(=O)(C1=CC=C(C=C1)Br)OCC

Q&A

What is the IUPAC name of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester?

The IUPAC name of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester with CAS number 20677-12-7 is 1-bromo-4-diethoxyphosphorylbenzene.

How many hydrogen bond acceptor counts are there in Phosphonic acid, P-(4-bromophenyl)-,diethyl ester?

There are 3 hydrogen bond acceptor counts in Phosphonic acid, P-(4-bromophenyl)-,diethyl ester.

What is the molecular weight of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester?

The molecular weight of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester is 293.09g/mol.

What is the canonical SMILES representation of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester?

The canonical SMILES representation of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester is CCOP(=O)(C1=CC=C(C=C1)Br)OCC.

What is the Monoisotopic Mass of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester?

The Monoisotopic Mass of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester is 291.98639.

How many heavy atoms are present in Phosphonic acid, P-(4-bromophenyl)-,diethyl ester?

There are 15 heavy atoms present in Phosphonic acid, P-(4-bromophenyl)-,diethyl ester.

What is the Computed Properties XLogP3 value of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester?

The Computed Properties XLogP3 value of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester is 2.5.

What is the InChIKey of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester?

The InChIKey of Phosphonic acid, P-(4-bromophenyl)-,diethyl ester is WBJRWCXJMRZDPA-UHFFFAOYSA-N.

How many rotatable bond counts are there in Phosphonic acid, P-(4-bromophenyl)-,diethyl ester?

There are 5 rotatable bond counts in Phosphonic acid, P-(4-bromophenyl)-,diethyl ester.

What is another name for Phosphonic acid, P-(4-bromophenyl)-,diethyl ester listed under Depositor-Supplied Synonyms?

Another name for Phosphonic acid, P-(4-bromophenyl)-,diethyl ester listed under Depositor-Supplied Synonyms is Diethyl (p-bromophenyl)phosphonate.