3-Chloro-2-phenylpropanoic acid
Basic information
- CAS
51545-26-7- Standard SMILES
O=C(O)C(CCl)c1ccccc1- InChIKey
PLXTXTKDRVJGNJ-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0291072
Names & identifiers
- Preferred name
- 3-Chloro-2-phenylpropanoic acid
- IUPAC
- 3-chloro-2-phenylpropanoic acid
Names & synonyms
3-chloro-2-phenylpropanoic acid51545-26-7DTXSID50281246RefChem:1067572DTXCID00232400NSC20989Benzeneacetic acid, a-(chloromethyl)-5441-69-0SCHEMBL305061NSC-20989DS-010073
Database identifiers
- CAS
51545-26-7、5441-69-0- PubChem CID
- 228237
- DTXSID
DTXSID50281246
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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