Basic information
- Standard SMILES
C=CCc1c(N)c(Cl)cc(C(=O)OC)c1OC- InChIKey
INLFXNSSTNXQGD-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO3
- Average molar mass
- 255.7 g/mol
Names & identifiers
- Preferred name
- Methyl 3-allyl-2-methoxy-4-amino-5-chlorobenzoate
- IUPAC
- methyl 4-amino-5-chloro-2-methoxy-3-prop-2-enylbenzoate
Names & synonyms
SCHEMBL7414983INLFXNSSTNXQGD-UHFFFAOYSA-NMethyl 3-allyl-2-methoxy-4-amino-5-chlorobenzoate
Database identifiers
- PubChem CID
- 14883229
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
2 records
Compound notes
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