AG008Z8N

1210906-15-2 | 5-bromo-2-(trifluoromethoxyl)benzonitrile

AG008Z8N

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CAS Number	1210906-15-2
Catalog Number	AG008Z8N(AGN-PC-0WH8WZ)
Chemical Name	5-bromo-2-(trifluoromethoxyl)benzonitrile
IUPAC Name	5-bromo-2-(trifluoromethoxy)benzonitrile
InChI	InChI=1S/C8H3BrF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H
InChI Key	XYVAUHKIIHYPAX-UHFFFAOYSA-N
MDL Number	MFCD13185875
Molecular Formula	C8H3BrF3NO
Molecular Weight	266.0147
SMILES	FC(F)(F)OC1=C(C=C(Br)C=C1)C#N
Synonyms	5-Bromo-2-(trifluoromethoxy)benzonitrile, 1210906-15-2, AK-86972, 5-BROMO-2-(TRIFLUOROMETHOXYL)BENZONITRILE, MFCD13185875, ACMC-209a97, SCHEMBL15969048, CTK7C7086, DTXSID80668223, XYVAUHKIIHYPAX-UHFFFAOYSA-N, ACT12945, KS-00003R1O, ZX-AP004091, ANW-17561, PC6919, SBB064911, ZINC42784480, AKOS015890242, AM61285, FCH1380780, PS-7323, CJ-20369, AJ-108219, AX8168156, TC-106306, 4-Bromo-2-cyano-1-(trifluoromethoxy)benzene, 4CH-009230, Benzonitrile, 5-bromo-2-(trifluoromethoxy)-, CS-0041307, FT-0701346, FT-0741563, ST24029356, Z3981, 5-bromo-2-(trifluoromethoxy)benzenecarbonitrile, B-6636, I01-6283, 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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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