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CAS Number: 706791-83-5
methyl 3-amino-5-bromobenzoate

Structure

methyl 3-amino-5-bromobenzoate
Name: methyl 3-amino-5-bromobenzoate
Synonyms:
General Information
Product Number: 706791835

CAS Registry Number 706791-83-5
Name:
Benzoic acid, 3-​amino-​5-​bromo-​, methyl ester
3-Amino-5-bromobenzoic acid methyl ester
Methyl 3-amino-5-bromobenzoate

 

Chemical Formula: C8H8BrNO2
Exact Mass: 228.97
Molecular Weight: 230.06
m/z: 228.97 (100.0%), 230.97 (97.3%), 229.98 (8.8%), 231.98 (8.6%)

 

InChI:InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,10H2,1H3

InChI Key:MNXLJDUZJCMJCI-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC(=CC(=C1)Br)N

 

Thermal Properties Value Condition Note
Melting Point 83-88 °C   (1)CAS

Specification

98%

References
  1. (1) Inglis, Steven R.; Journal of Medicinal Chemistry 2009, V52(19), P6097-6106 CAPLUS
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