Benzoic acid, bromochloro-
Basic information
- CAS
25638-14-6- Standard SMILES
O=C(O)c1c(Cl)cccc1Br.O=C(O)c1cc(Br)ccc1Cl.O=C(O)c1cc(Cl)cc(Br)c1.O=C(O)c1ccc(Cl)cc1Br.O=C(O)c1cccc(Br)c1Cl.O=C(O)c1cccc(Cl)c1Br- InChIKey
GNTVCIOKMMQVPL-UHFFFAOYSA-N- Molecular formula
- C42H24Br6Cl6O12
- Average molar mass
- 1,412.8 g/mol
- Monoisotopic mass
- 1,403.44992
Names & identifiers
- Preferred name
- Benzoic acid, bromochloro-
- IUPAC
- 2-bromo-3-chlorobenzoic acid;2-bromo-4-chlorobenzoic acid;2-bromo-6-chlorobenzoic acid;3-bromo-2-chlorobenzoic acid;3-bromo-5-chlorobenzoic acid;5-bromo-2-chlorobenzoic acid
- English name
- 2-Bromo-3-chlorobenzoic acid
- Molecular formula
- C7H4BrClO2
- Molecular weight
- 235.46
Names & synonyms
Benzoic acid, bromochloro-H316500500DTXSID10180322BUTTPARK 22\01-98Bromochlorobenzoic acid2-Bromo-3-chlorobenzoic acid2-Bromo-3-chlorobenzoic acid（WS200273）
Database identifiers
- CAS
25638-14-6- PubChem CID
- 33122
- DTXSID
DTXSID10180322
Properties
Computed structural properties
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 975
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Compound notes
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