Benzoic acid, 2,5-bis(bromomethyl)-
Basic information
- CAS
148692-70-0- Standard SMILES
O=C(O)c1cc(CBr)ccc1CBr- InChIKey
RPCHGSCSAZJADQ-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O2
- Average molar mass
- 307.97 g/mol
- Monoisotopic mass
- 305.8891
Names & identifiers
- Preferred name
- Benzoic acid, 2,5-bis(bromomethyl)-
- IUPAC
- 2,5-bis(bromomethyl)benzoic acid
Names & synonyms
Benzoic acid, 2,5-bis(bromomethyl)-148692-70-0DTXSID20304491RefChem:326563DTXCID902556232,5-bis(bromomethyl)benzoic acidNSC165910SCHEMBL11769079NSC-165910
Database identifiers
- CAS
148692-70-0- PubChem CID
- 296109
- DTXSID
DTXSID20304491- Nikkaji
- J1.465.653G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
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Compound notes
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