Basic information
- CAS
302575-02-6- Standard SMILES
COC(=O)c1cc(Cl)c(NC(=O)C(C)C)cc1OC- InChIKey
MFRDRHQVUHOVGS-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO4
- Average molar mass
- 285.72 g/mol
- Monoisotopic mass
- 285.0767857
Names & identifiers
- Preferred name
- Methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoate
- IUPAC
- methyl 5-chloro-2-methoxy-4-(2-methylpropanoylamino)benzoate
- English name
- MFRDRHQVUHOVGS-UHFFFAOYSA-N
- Molecular formula
- C13H16ClNO4
- Molecular weight
- 285.72
Names & synonyms
302575-02-6methyl 5-chloro-4-(isobutyrylamino)-2-methoxybenzoatemethyl 5-chloro-4-isobutyramido-2-methoxybenzoateF3095-2461methyl 5-chloro-2-methoxy-4-(2-methylpropanoylamino)benzoateOprea1_502568Oprea1_717113MLS000681356CHEMBL1449076HMS1659E12HMS2713O21SMSSF-0053512
Show more names
MFRDRHQVUHOVGS-UHFFFAOYSA-NBenzoic acid, 5-chloro-2-methoxy-4-[(2-methyl-1-oxopropyl)amino]-, methyl ester
AKOS002271063SMR000267753ST50187640VU0033764-3SR-01000427632SR-01000427632-1methyl 5-chloro-2-methoxy-4-(2-methybutyrylamino)benzoate
Database identifiers
- CAS
302575-02-6- PubChem CID
- 718591
- ChEMBL
CHEMBL1449076- EC Number
- 144-636-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…