AG003M7B

1204298-65-6 | 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

AG003M7B

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CAS Number	1204298-65-6
Catalog Number	AG003M7B(AGN-PC-0WAAU6)
Chemical Name	5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	5-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
InChI	InChI=1S/C6H6F2N2O2/c1-10-4(5(7)8)3(2-9-10)6(11)12/h2,5H,1H3,(H,11,12)
InChI Key	CTTXMUZEFPPHGD-UHFFFAOYSA-N
MDL Number	MFCD12827721
Molecular Formula	C6H6F2N2O2
Molecular Weight	176.1208
SMILES	O=C(C1=C(C(F)F)N(C)N=C1)O
Synonyms	5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, 1204298-65-6, 5-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid, CTTXMUZEFPPHGD-UHFFFAOYSA-N, SCHEMBL713246, AC1Q40E1, CTK4B1863, DTXSID60679099, 3543AA, MFCD12827721, ZINC44831881, AKOS012187968, CS-W007116, DS-6922, MCULE-5786889206, RP23761, RTR-034454, SB21897, TRA0070880, KS-00000R71, AC-28859, AK123281, SC-65895, AB0060261, AJ-110199, TR-034454, ST24044238, EN300-66591, C-2424, 5-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxyl, 5-difluoromethyl-1-methylpyrazole-4-carboxylic acid, J-516337, 5-difluoromethyl-1-methyl-1h-pyrazole-4-carboxylic acid, C6H6F2N2O2, 1-METHYL-5-(DIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.123g/mol
Monoisotopic Mass	176.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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