AG0033ZO

16499-64-2 | 4-chloro-6-(trifluoromethyl)quinazoline

AG0033ZO

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CAS Number	16499-64-2
Catalog Number	AG0033ZO(AGN-PC-035G4I)
Chemical Name	4-chloro-6-(trifluoromethyl)quinazoline
IUPAC Name	4-chloro-6-(trifluoromethyl)quinazoline
InChI	InChI=1S/C9H4ClF3N2/c10-8-6-3-5(9(11,12)13)1-2-7(6)14-4-15-8/h1-4H
InChI Key	OJNBXNWWYXBHGZ-UHFFFAOYSA-N
MDL Number	MFCD09837194
Molecular Formula	C9H4ClF3N2
Molecular Weight	232.5897
SMILES	Clc1ncnc2c1cc(cc2)C(F)(F)F
Synonyms	4-CHLORO-6-(TRIFLUOROMETHYL)QUINAZOLINE, 16499-64-2, QUINAZOLINE, 4-CHLORO-6-(TRIFLUOROMETHYL)-, PubChem14630, SCHEMBL686704, CTK4D1971, DTXSID70610559, OJNBXNWWYXBHGZ-UHFFFAOYSA-N, 4-chloro-6-trifluoromethylquinazoline, 8379AA, MFCD09837194, ZINC26894439, AKOS000320240, 4-Chloro-6-trifluoromethyl-quinazoline, AB53371, RP28035, RP28036, 4-chloro-6-(trifluoromethyl)-quinazoline, AJ-82834, AK-27589, CJ-17555, DS-10843, Quinazoline,4-chloro-6-(trifluoromethyl)-, AB0057383, DB-064564, ST2405735, TR-007104, 4CH-017199, FT-0645898, A18278, 499C642, J-515083, I14-33741, C9H4ClF3N2,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.002g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.59g/mol
Monoisotopic Mass	232.002g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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