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Methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate

Catalog Number ACM1232838311
CAS 1232838-31-1
Structure {[CurrentData.Name]}
IUPAC Name methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
Synonyms methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate;1232838-31-1;methyl 4-bromo-3-methyl-1h-pyrazole-5-carboxylate;1H-pyrazole-3-carboxylic acid, 4-bromo-5-methyl-, methyl ester;SCHEMBL14857837;DTXSID90594721;ALBB-027681;ZINC8730180;ANW-53832;BBL011309;MFCD08056667;MFCD13704192;SBB081391;STK943201;AKOS000276425;AKOS005071103;MCULE-2153145437;NE42344;DA-32490;FT-0709542;EN300-54808;methyl 4-bromo-3-methylpyrazole-5-carboxylate;C-4346;7Z-0815;J-522320;Methyl 4-bromo-3-methyl-1H-pyrazole-5-carboxylate, AldrichCPR
Molecular Weight 219.04g/mol
Molecular Formula C6H7BrN2O2
Canonical SMILES CC1=C(C(=NN1)C(=O)OC)Br
InChI InChI=1S/C6H7BrN2O2/c1-3-4(7)5(9-8-3)6(10)11-2/h1-2H3,(H,8,9)
InChI Key QOTBTHHHTJJTRR-UHFFFAOYSA-N
Complexity 165
Covalently-Bonded Unit Count 1
Exact Mass 217.96909g/mol
Heavy Atom Count 11
Hydrogen Bond Acceptor Count 3
Monoisotopic Mass 217.96909g/mol
Rotatable Bond Count 2
Topological Polar Surface Area 55Ų
X Log P3 1.5
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