Basic information
- Standard SMILES
COC(=O)c1ccc(-c2nc(CCl)c(C)o2)cc1- InChIKey
AIECEJBJUVTIRQ-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO3
- Average molar mass
- 265.69 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(4-(chloromethyl)-5-methyloxazol-2-yl)benzoate
- IUPAC
- methyl 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]benzoate
Names & synonyms
675148-38-6methyl 4-(4-(chloromethyl)-5-methyloxazol-2-yl)benzoateMethyl 4-[4-(Chloromethyl)-5-methyl-1,3-oxazol-2-yl]benzoateSCHEMBL2080149AIECEJBJUVTIRQ-UHFFFAOYSA-N4-(4-Chloromethyl-5-methyl-oxazol-2-yl)benzoic acid methyl ester4-(4-CHLOROMETHYL-5-METHYL-OXAZOL-2-YL)-BENZOIC ACID METHYL ESTERAKOS015996327H58369methyl4-(4-(chloromethyl)-5-methyloxazol-2-yl)benzoatemethyl 4-(4-chloromethyl-5-methyl-1,3-oxazol-2-yl)benzoate
Database identifiers
- PubChem CID
- 23076573
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
40 records
Compound notes
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