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Structure

1H-Pyrazole-3-carboxylic acid,4-bromo-,methyl ester

CAS
81190-89-8
Catalog Number
ACM81190898
Category
Other Products
Molecular Weight
205.009400 [g/mol]
Molecular Formula
C5H5BrN2O2

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Specification

Synonyms
methyl 4-bromo-1H-pyrazole-3-carboxylate, 81190-89-8, methyl 4-bromo-1H-pyrazole-5-carboxylate, SBB022111, 4-Bromo-1H-pyrazole-3-carboxylicacidmethylester, 4-Bromo-1H-pyrazole-3-carboxylic acid methyl ester, AC1MCYO4, SureCN13726965, BESTIPHARMA 518-955, CTK6J1177, CTK8F5815, MolPort-000-891-082, MolPort-002-791-620, BB_SC-9040, ANW-50382, BBL013079, methyl 4-bromopyrazole-3-carboxylate, methyl 4-bromopyrazole-5-carboxylate, STK315331, ZINC03832441
IUPAC Name
methyl 4-bromo-1H-pyrazole-5-carboxylate
Canonical SMILES
COC(=O)C1=C(C=NN1)Br
InChI Key
KWQDACZQHJCUNK-UHFFFAOYSA-N
Boiling Point
318ºC at 760 mmHg
Flash Point
146.1ºC
Density
1.781 g/cm³
Exact Mass
203.95300
H-Bond Acceptor
3
H-Bond Donor
1
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