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CAS Number: 101909-43-7
methyl 4-bromo-1H-indole-3-carboxylate

Structure

 methyl 4-bromo-1H-indole-3-carboxylate
Name: methyl 4-bromo-1H-indole-3-carboxylate
Synonyms:
General Information
Product Number: 101909437

CAS Registry Number 101909-43-7
Name:
1H-?Indole-?3-?carboxylic acid, 4-?bromo-?, methyl ester
Methyl 4-bromo-3-indolecarboxylate

 

Chemical Formula: C10H8BrNO2
Exact Mass: 252.97
Molecular Weight: 254.08
m/z: 252.97 (100.0%), 254.97 (97.3%), 253.98 (11.0%), 255.98 (10.7%)

 

InChI:InChI=1S/C10H8BrNO2/c1-14-10(13)6-5-12-8-4-2-3-7(11)9(6)8/h2-5,12H,1H3

InChI Key:MPAHRSJGIHOVOK-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CNC2=C1C(=CC=C2)Br

 

Thermal Properties Value Condition Note
Melting Point 125-126 °C Solv: methanol (67-56-1) (1)IC
Melting Point 113-114 °C Solv: methanol (67-56-1); water (7732-18-5) (2)IC

Specification

98%
References
  1. (1) Somei, Masanori; Chemical & Pharmaceutical Bulletin 1985, V33(9), P3696-708 CAPLUS
  2. (2) Yamada, Fumio; Heterocycles 1987, V26(5), P1173-6 CAPLUS
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