U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7ClO2
Molecular Weight 170.593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-CHLOROBENZOATE

SMILES

COC(=O)C1=CC=C(Cl)C=C1

InChI

InChIKey=LXNFVVDCCWUUKC-UHFFFAOYSA-N
InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
METHYL 4-CHLOROBENZOATE
Systematic Name English
4-CHLOROBENZOIC ACID METHYL ESTER
Systematic Name English
P-CHLOROBENZOIC ACID METHYL ESTER
Common Name English
METHYL P-CHLOROBENZOATE
Common Name English
BENZOIC ACID, P-CHLORO-, METHYL ESTER
Common Name English
NSC-8366
Code English
DECITABINE RELATED COMPOUND D [USP-RS]
Common Name English
4-CARBOMETHOXYPHENYL CHLORIDE
Systematic Name English
BENZOIC ACID, 4-CHLORO-, METHYL ESTER
Systematic Name English
5-CHLORO-2-BENZOIC ACID METHYL ESTER
Systematic Name English
4-(METHOXYCARBONYL)CHLOROBENZENE
Systematic Name English
Code System Code Type Description
FDA UNII
M0U80J80VA
Created by admin on Sat Dec 16 08:02:18 GMT 2023 , Edited by admin on Sat Dec 16 08:02:18 GMT 2023
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EPA CompTox
DTXSID5022148
Created by admin on Sat Dec 16 08:02:18 GMT 2023 , Edited by admin on Sat Dec 16 08:02:18 GMT 2023
PRIMARY
CAS
1126-46-1
Created by admin on Sat Dec 16 08:02:18 GMT 2023 , Edited by admin on Sat Dec 16 08:02:18 GMT 2023
PRIMARY
PUBCHEM
14307
Created by admin on Sat Dec 16 08:02:18 GMT 2023 , Edited by admin on Sat Dec 16 08:02:18 GMT 2023
PRIMARY
RS_ITEM_NUM
1165248
Created by admin on Sat Dec 16 08:02:18 GMT 2023 , Edited by admin on Sat Dec 16 08:02:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-420-9
Created by admin on Sat Dec 16 08:02:18 GMT 2023 , Edited by admin on Sat Dec 16 08:02:18 GMT 2023
PRIMARY
NSC
8366
Created by admin on Sat Dec 16 08:02:18 GMT 2023 , Edited by admin on Sat Dec 16 08:02:18 GMT 2023
PRIMARY