Phosphonic acid, (m-bromophenyl)-
Basic information
- CAS
6959-02-0- Standard SMILES
O=P(O)(O)c1cccc(Br)c1- InChIKey
FVXYXYBKMLOQGI-UHFFFAOYSA-N- Molecular formula
- C6H6BrO3P
- Average molar mass
- 236.99 g/mol
- Monoisotopic mass
- 235.92379
Names & identifiers
- Preferred name
- Phosphonic acid, (m-bromophenyl)-
- IUPAC
- (3-bromophenyl)phosphonic acid
- English name
- Phosphonic acid, (3-bromophenyl)-
- Molecular formula
- C6H6BrO3P
- Molecular weight
- 236.99
Names & synonyms
6959-02-0Phosphonic acid, (m-bromophenyl)-DTXSID00219852RefChem:1095161DTXCID50142343(3-bromophenyl)phosphonic acidPhosphonic acid, (3-bromophenyl)-MFCD004616913-Bromophenylphosphonic acid(m-Bromophenyl)phosphonic acidm-Bromophenylphosphonic acidBRN 2936775
Show more names
3-Bromophenyl phosphonic acid, 98 %Phosphonic acid, (3-bromophenyl)- (9CI)
m-bromophenyl-phosphonic acidSCHEMBL4337110SCHEMBL5949951NSC66416NSC 66416NSC-66416AKOS017344986SY406409
Database identifiers
- CAS
6959-02-0- PubChem CID
- 96314
- DTXSID
DTXSID00219852- Nikkaji
- J174.832G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 152 · 152-153 °C
- Boiling point
- 412.2 · 412.2±47.0 °C(Predicted)
- Density
- 1.9 · 1.90±0.1 g/cm3(Predicted)
- pka
- 1.57 · 1.57±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
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Related reactions
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Compound notes
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