AG0011BN

1328893-17-9 | 1H-Pyrazole-3-carboxylic acid, 5-bromo-, methyl ester

AG0011BN

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CAS Number	1328893-17-9
Catalog Number	AG0011BN(AGN-PC-0JF3UN)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-bromo-, methyl ester
IUPAC Name	methyl 5-bromo-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C5H5BrN2O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H,7,8)
InChI Key	RLDJSZKPUPTTNO-UHFFFAOYSA-N
MDL Number	MFCD23701497
Molecular Formula	C5H5BrN2O2
Molecular Weight	205.0094
SMILES	BrC1=CC(=NN1)C(=O)OC
Synonyms	Methyl 5-bromo-1H-pyrazole-3-carboxylate, 1328893-17-9, Methyl 3-bromo-1H-pyrazole-5-carboxylate, AK109827, 2246373-43-1, SCHEMBL20517628, DTXSID40855692, BBL103907, Methyl 5-Bromopyrazole-3-carboxylate, MFCD23701497, STL557717, ZINC85210442, AKOS016009037, CS-W018564, FCH2329298, FS-3741, MP-1810, KS-00000Q30, CJ-22281, QC-11329, SY024058, AB0058197, AJ-126584, AX8231822, 4CH-011832, AK00749792, ST24025405, Z4091, MFCD23701497 (97%), 1H-Pyrazole-3-carboxylic acid, 5-bromo-, methyl ester, C5H5BrN2O2, (4-BROMO-5-CHLORO-2-METHYLPHENYL)AMINE, 30273-47-3,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.953g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.011g/mol
Monoisotopic Mass	203.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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