AG008T92

1202993-11-0 | 5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

AG008T92

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CAS Number	1202993-11-0
Catalog Number	AG008T92(AGN-PC-0WBRP5)
Chemical Name	5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
InChI	InChI=1S/C6H5ClF2N2O2/c1-11-4(7)2(6(12)13)3(10-11)5(8)9/h5H,1H3,(H,12,13)
InChI Key	VXTQDSCLSCPLPV-UHFFFAOYSA-N
MDL Number	MFCD12827693
Molecular Formula	C6H5ClF2N2O2
Molecular Weight	210.5659
SMILES	ClC1=C(C(=NN1C)C(F)F)C(=O)O
Synonyms	5-CHLORO-3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, 1202993-11-0, 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid, VXTQDSCLSCPLPV-UHFFFAOYSA-N, PubChem16990, SCHEMBL437373, DTXSID80599563, KS-00000M3I, MFCD12827693, ZINC44831823, AKOS012176270, AK476944, DS-18889, CS-0061725, C-2407,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.001g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.565g/mol
Monoisotopic Mass	210.001g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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