AG0013AE

13745-17-0 | 1H-Pyrazole-3-carboxylic acid, 4-bromo-

AG0013AE

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CAS Number	13745-17-0
Catalog Number	AG0013AE(AGN-PC-0O1D0W)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 4-bromo-
IUPAC Name	4-bromo-1H-pyrazole-5-carboxylic acid
InChI	InChI=1S/C4H3BrN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChI Key	QISOBCMNUJQOJU-UHFFFAOYSA-N
MDL Number	MFCD01459882
Molecular Formula	C4H3BrN2O2
Molecular Weight	190.9828
SMILES	BrC=1C(=NNC1)C(=O)O
Synonyms	4-bromo-1H-pyrazole-3-carboxylic acid, 13745-17-0, 4-bromo-1H-pyrazole-5-carboxylic acid, 1092683-57-2, 4-bromopyrazole-3-carboxylic acid, 4-Bromo-2H-pyrazole-3-carboxylic acid, 4-Bromo pyrazole-3-carboxylic acid, 4-Bromo-1H-pyrazole-3-carboxylicacid, AK-46340, 1h-pyrazole-3-carboxylic acid, 4-bromo-, 18745-17-0, W-205501, MFCD01459882, ZERO/005392, akos pao-1260, AC1LOLEG, rarechem al bo 1694, 4-bromopyrazolecarboxylic, timtec-bb sbb000292, akos b006501, art-chem-bb b006501, cbi-bb zero/005392, KSC171Q6N, SCHEMBL1020837, 4-Bromo-3-carboxy-1H-pyrazole, CTK0H1866, CTK7I6119, KS-00000IQQ, QISOBCMNUJQOJU-UHFFFAOYSA-N, ACN-S004060, ALBB-003736, ZINC4725852, ZX-AT002946, ANW-49049, ANW-57200, BBL010152, MFCD00463984, SBB000292, STK298734, AKOS000307943, AKOS000521048, 4-bromo-1H-pyrazole-3-carboxylic-acid, CB-3183, CS-W002776, DS-3138, FS-1867, MCULE-8803859737, MP-0829, OR60183, RP03738, RTC-068333, TRA0028571, 1H-Pyrazole-3-carboxylicacid, 4-bromo-, 4-bromo-1 h-pyrazole-3-carboxylic acid, AJ-52090, AJ-61222, AK-59621, AT-28630, BAS 00614224, BR-46340, QC-10381, SC-25315, ST005612, SY002455, AB0027995, AB1001365, AX8094684, DB-032325, ST2411147, TC-068333, TR-042857, 4CH-009510, 4CH-015807, A2959, BB 0256425, FT-0083398, FT-0651409, FT-0654945, ST24028913, W9921, X9988, Z3880, C-1333, 4-bromo-1H-pyrazole-5-carboxylic acid(SALTDATA, MFCD01459882 (97+%), 4-Bromo-1H-pyrazole-3-carboxylic acid, AldrichCPR, I11-0528, I14-6396, S14-1902, null, C4H3BrN2O2, ACN-039145, CID1242246, C2728, 4-bromo-1H-pyrazole-3-carboxylic acid, 95% - 1G 1g, 84547-84-2,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.938g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.984g/mol
Monoisotopic Mass	189.938g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number