(2-bromophenyl)phosphonous acid

C6H6BrO2P — CID 44604849

IUPAC(2-bromophenyl)phosphonous acid
SMILESOP(O)c1ccccc1Br
InChIInChI=1S/C6H6BrO2P/c7-5-3-1-2-4-6(5)10(8)9/h1-4,8-9H
InChIKeyGSUOBFJZHOWPPA-UHFFFAOYSA-N
MW220.99 g/mol
LogP1.37
Rot. Bonds1

About (2-bromophenyl)phosphonous acid

(2-bromophenyl)phosphonous acid (PubChem CID 44604849) has the molecular formula C6H6BrO2P and a molecular weight of 220.99 g/mol. Its IUPAC name is (2-bromophenyl)phosphonous acid.

Molecular Properties

Compound Name(2-bromophenyl)phosphonous acid
PubChem CID44604849
Molecular FormulaC6H6BrO2P
Molecular Weight220.99 g/mol
Exact Mass219.93
IUPAC Name(2-bromophenyl)phosphonous acid
SMILESOP(O)c1ccccc1Br
InChIInChI=1S/C6H6BrO2P/c7-5-3-1-2-4-6(5)10(8)9/h1-4,8-9H
InChIKeyGSUOBFJZHOWPPA-UHFFFAOYSA-N
XLogP1.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.99
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl)-diethylphosphane
CID 15265671
(2-bromophenyl)-ethoxy-methylphosphane
CID 139474536
(2-bromophenyl)-phenyl-propan-2-ylphosphane
CID 62705964
(2-bromophenyl)-bis(2,6-dimethoxyphenyl)phosphane
CID 151973130
CID 62706137
CID 62706137
CID 76954965
CID 76954965
CID 59369489
CID 59369489
2-bromoaniline
CID 162048621
2,3-dibromotriphenylene
CID 164807175
6-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-thiol
CID 71309862
phenylphosphonous acid;zinc
CID 141187307
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)phosphonous acid?
The IUPAC name of (2-bromophenyl)phosphonous acid (CID 44604849) is (2-bromophenyl)phosphonous acid.
What is the SMILES notation for (2-bromophenyl)phosphonous acid?
The canonical SMILES for (2-bromophenyl)phosphonous acid is OP(O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)phosphonous acid?
The InChIKey is GSUOBFJZHOWPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrO2P/c7-5-3-1-2-4-6(5)10(8)9/h1-4,8-9H.
What are the key properties of (2-bromophenyl)phosphonous acid?
(2-bromophenyl)phosphonous acid has a molecular weight of 220.99 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)phosphonous acid is sourced from PubChem (CID 44604849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).