AG007W4T

1076197-55-1 | 4-Chloro-2-(trifluoromethyl)pyrimidine-5-carboxylic acid

AG007W4T

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CAS Number	1076197-55-1
Catalog Number	AG007W4T(AGN-PC-03HYTW)
Chemical Name	4-Chloro-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
IUPAC Name	4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H2ClF3N2O2/c7-3-2(4(13)14)1-11-5(12-3)6(8,9)10/h1H,(H,13,14)
InChI Key	GMZOIVPQSFJUDK-UHFFFAOYSA-N
MDL Number	MFCD11558920
Molecular Formula	C6H2ClF3N2O2
Molecular Weight	226.5405
SMILES	OC(C1=C(Cl)N=C(C(F)(F)F)N=C1)=O
Synonyms	4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylic acid, 1076197-55-1, 4-Chloro-2-(trifluoromethyl)pyrimidine-5-carboxylicacid, SCHEMBL4415725, CTK8B6126, DTXSID90620352, BCP26521, 1583AA, ANW-52743, ZINC38540934, AKOS005145966, HP23018, AJ-96552, EN001535, DB-026198, TC-061833, AM20080031, FT-0713641, A23832, I03-0450, Z2166552843, 4-CHLORO-2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID, C6H2ClF3N2O2, cc-141, 188781-49-9,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.976g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.539g/mol
Monoisotopic Mass	225.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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