AG0014SV

1214334-83-4 | Benzonitrile, 2-bromo-4-(trifluoromethoxy)-

AG0014SV

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CAS Number	1214334-83-4
Catalog Number	AG0014SV(AGN-PC-022F96)
Chemical Name	Benzonitrile, 2-bromo-4-(trifluoromethoxy)-
IUPAC Name	2-bromo-4-(trifluoromethoxy)benzonitrile
InChI	InChI=1S/C8H3BrF3NO/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-3H
InChI Key	KQXCJMGFMNVWGL-UHFFFAOYSA-N
MDL Number	MFCD13185874
Molecular Formula	C8H3BrF3NO
Molecular Weight	266.0147
SMILES	BrC1=C(C#N)C=CC(=C1)OC(F)(F)F
Synonyms	2-Bromo-4-(Trifluoromethoxy)benzonitrile, 1214334-83-4, AK-39781, Benzonitrile, 2-bromo-4-(trifluoromethoxy)-, KSC495C7P, SCHEMBL8148156, CTK3J5177, KS-00000IEC, DTXSID90596200, KQXCJMGFMNVWGL-UHFFFAOYSA-N, ANW-51815, MFCD13185874, ZINC54965070, AKOS015834901, AM61284, FCH1380779, GS-4445, RTR-034510, TF10207, TRA0051737, BR-39781, CJ-20762, SC-38271, AB0035198, AJ-112513, AX8168157, DB-030819, ST2409648, TR-034510, 4CH-009231, FT-0724009, X9487, S-5195, I01-6284, 2-BROMO-4-(TRIFLUOROMETHOXY)BENZENECARBONITRILE, C8H3BrF3NO,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.935g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	266.017g/mol
Monoisotopic Mass	264.935g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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