AG00386G

220880-12-6 | 4-(Trifluoromethyl)pyrimidine-5-carboxylic acid

AG00386G

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CAS Number	220880-12-6
Catalog Number	AG00386G(AGN-PC-00CKHZ)
Chemical Name	4-(Trifluoromethyl)pyrimidine-5-carboxylic acid
IUPAC Name	4-(trifluoromethyl)pyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H3F3N2O2/c7-6(8,9)4-3(5(12)13)1-10-2-11-4/h1-2H,(H,12,13)
InChI Key	OQHVVOYDDRBQRI-UHFFFAOYSA-N
MDL Number	MFCD11106713
Molecular Formula	C6H3F3N2O2
Molecular Weight	192.0954
SMILES	OC(=O)c1cncnc1C(F)(F)F
Synonyms	4-(trifluoromethyl)pyrimidine-5-carboxylic Acid, 220880-12-6, 5-Pyrimidinecarboxylic acid, 4-(trifluoromethyl)-, SCHEMBL1671209, CTK8B4591, DTXSID80469353, OQHVVOYDDRBQRI-UHFFFAOYSA-N, ANW-45573, MFCD11106713, ZINC26461816, AKOS010969030, AS-8642, CS-W022034, HP23780, RP25147, AJ-82412, AK-30986, DA-08042, 4-(trifluoromethyl)pyrimidine-5-carboxylic, AB0023491, TC-134318, 4CH-008572, FT-0731516, ST24028861, W4561, 4-trifluoromethyl-pyrimidine-5-carboxylic acid, 4-Trifluoromethyl-5-Pyrimidine Carboxylic Acid, 6-(trifluoromethyl)pyrimidine-5-carboxylic acid, M-9625, J-513940, C6H3F3N2O2, CID11608075,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.097g/mol
Monoisotopic Mass	192.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^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

Lot Number