AG007B5V

1070892-04-4 | 5-Bromo-2-(trifluoromethyl)isonicotinonitrile

AG007B5V

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CAS Number	1070892-04-4
Catalog Number	AG007B5V(AGN-PC-0BLDH4)
Chemical Name	5-Bromo-2-(trifluoromethyl)isonicotinonitrile
IUPAC Name	5-bromo-2-(trifluoromethyl)pyridine-4-carbonitrile
InChI	InChI=1S/C7H2BrF3N2/c8-5-3-13-6(7(9,10)11)1-4(5)2-12/h1,3H
InChI Key	XBGQKEABZCTRRT-UHFFFAOYSA-N
MDL Number	MFCD18261445
Molecular Formula	C7H2BrF3N2
Molecular Weight	251.0034
SMILES	FC(F)(F)C1=NC=C(Br)C(=C1)C#N
Synonyms	5-bromo-2-(trifluoromethyl)isonicotinonitrile, 1070892-04-4, 5-bromo-2-(trifluoromethyl)pyridine-4-carbonitrile, SCHEMBL2992371, CTK8C1841, DTXSID20719900, XBGQKEABZCTRRT-UHFFFAOYSA-N, ANW-67350, ZINC72319616, AKOS016006671, FCH1366518, RL00309, AJ-120980, AX8237434, TC-156095, 5-bromo-2-trifluoromethyl-isonicotinonitrile, X5163, J-516857, C7H2BrF3N2, ACN-001205,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.935g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.006g/mol
Monoisotopic Mass	249.935g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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