2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-
Basic information
- CAS
86818-26-0- Standard SMILES
O=C(O)Cc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2- InChIKey
IXGCAJDJYHSDRI-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO3
- Average molar mass
- 301.72 g/mol
- Monoisotopic mass
- 301.0505709
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-
- IUPAC
- 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid
Names & synonyms
BRN 451858586818-26-02H-1,4-BENZOXAZINE-6-ACETIC ACID, 3-(4-CHLOROPHENYL)-3-(4-Chlorophenyl)-2H-1,4-benzoxazine-6-acetic acid3-(p-Chlorophenyl)-2H-1,4-benzoxazine-6-acetic acidDTXSID20235837RefChem:268021DTXCID501583282-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid[3-(4-CHLOROPHENYL)-2H-1,4-BENZOXAZIN-6-YL]ACETIC ACID
Database identifiers
- CAS
86818-26-0- PubChem CID
- 55564
- DTXSID
DTXSID20235837
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
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Compound notes
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