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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
methyl 5-chloro-4-acetamido-2-methoxybenzoate

Inventory

EC number:
223-840-1
EC name:
Methyl 4-acetamido-5-chloro-o-anisate
CAS number:
4093-31-6
CAS number:
4093-31-6
Synonyms
Names:
Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester
Identifier:
IUPAC name
Methyl 2-methoxy-4-acetamido-5-chlorobenzoate
Identifier:
IUPAC name
methyl 4-acetamido-5-chloro-2-methoxybenzoate
Identifier:
PubChem
2-methoxy-4-acetylamino-5-chloro methyl benzoate
Identifier:
PubChem
Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester
Identifier:
PubChem
Methyl 4-acetamido-5-chloro-2-methoxybenzoate
Identifier:
PubChem
Methyl 4-acetamido-5-chloro-o-anisate
Identifier:
other: SMILES notation
COC(=O)c1cc(Cl)c(NC(=O)C)cc1OC
Identifier:
other: InChl
InChI=1/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
methyl 4-acetamido-5-chloro-o-anisate

Molecular and structural information

Molecular formula:
C11H12ClNO4
Molecular weight:
ca. 257
SMILES notation:
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl
InChl:
InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
Structural formula:
Chemical structure

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