AG0022YG

181585-93-3 | 1H-Pyrazole-3-carboxylic acid, 5-nitro-, methyl ester

AG0022YG

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CAS Number	181585-93-3
Catalog Number	AG0022YG(AGN-PC-0O556I)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-nitro-, methyl ester
IUPAC Name	methyl 5-nitro-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C5H5N3O4/c1-12-5(9)3-2-4(7-6-3)8(10)11/h2H,1H3,(H,6,7)
InChI Key	OTINMTPELZSAPX-UHFFFAOYSA-N
MDL Number	MFCD08236713
Molecular Formula	C5H5N3O4
Molecular Weight	171.1109
SMILES	[N+](=O)([O-])C1=CC(=NN1)C(=O)OC
Synonyms	methyl 5-nitro-1H-pyrazole-3-carboxylate, 181585-93-3, methyl 3-nitro-1H-pyrazole-5-carboxylate, 5-NITRO-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER, 1H-Pyrazole-3-carboxylic acid, 5-nitro-, methyl ester, OTINMTPELZSAPX-UHFFFAOYSA-N, methyl 3-nitropyrazole-5-carboxylate, 1008112-06-8, 3-Methoxycarbonyl-5-nitropyrazole, ZERO/008156, AC1LP95A, methylnitropyrazolecarboxylate, SCHEMBL25449, KSC537S2L, SCHEMBL17199593, CTK4D7925, CTK5I2340, KS-00000ZKT, DTXSID90361632, ALBB-008667, BCP22847, ZINC3908866, ANW-44227, EBD254561, MFCD08236713, SBB001481, STK346689, AKOS000311111, AKOS001681793, AB06278, BCP9000918, MB-0822, MCULE-7826729506, MP-0215, RP10506, RTR-060710, AJ-47413, AK-54524, CJ-11216, SC-14474, ST001719, AB0050825, DB-065368, ST2413459, TR-060710, 4CH-006689, BB 0259994, CS-0043772, EU-0050446, FT-0702773, Z4317, 5-nitro-3-pyrazole-carboxylic acid methyl ester, 585M933, 1H-Pyrazole-3-carboxylicacid,5-nitro-,methyl ester, J-522503, 1H-Pyrazole-3-carboxylicacid, 5-nitro-, methyl ester, I14-40675, 1H-Pyrazole-5-carboxylic acid, 3-nitro-, methyl ester, 5-NITRO-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER, C5H5N3O4, 4-Methoxy-1,2,5-oxadiazol-3-amine, ACN-040552, CID1283478, 1H-Pyrazole-3-carboxylicacid,5-nitro-,methylester,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.028g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.112g/mol
Monoisotopic Mass	171.028g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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