4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid

HCID 12533586CAS 62903-05-3

Basic information

Standard SMILES
Cc1c(Cl)cc(C(=O)CCC(=O)O)cc1Cl
InChIKey
WCJIEUHCYAYRFE-UHFFFAOYSA-N
Molecular formula
C11H10Cl2O3
Average molar mass
261.1 g/mol
Monoisotopic mass
260.00069954

Names & identifiers

Preferred name
4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid
IUPAC
4-(3,5-dichloro-4-methylphenyl)-4-oxobutanoic acid
English name
3-(3,5-Dichloro-4-methylbenzoyl)propionic acid
Molecular formula
C11H10Cl2O3
Molecular weight
261.1

Names & synonyms

4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid62903-05-33-(3,5-Dichloro-4-methylbenzoyl)propionic acidSCHEMBL8688169DTXSID00501587DB-3563954-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoicacid4-(3,5-Dichloro-4-methylphenyl)-4-oxobutyric acidBenzenebutanoic acid, 3,5-dichloro-4-methyl-γ-oxo-

Database identifiers

CAS
62903-05-3
PubChem CID
12533586
DTXSID
DTXSID00501587
Nikkaji
J27.613H

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

Chemistry & industry

Suppliers2 total

上海书亚医药科技有限公司400-685-9117 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]

Related reactions

7 records

Linked notes

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