AG00IHCL

928136-78-1 | 4-Bromo-3-(trifluoromethoxy)benzonitrile

AG00IHCL

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CAS Number	928136-78-1
Catalog Number	AG00IHCL(AGN-PC-0WANQD)
Chemical Name	4-Bromo-3-(trifluoromethoxy)benzonitrile
IUPAC Name	4-bromo-3-(trifluoromethoxy)benzonitrile
InChI	InChI=1S/C8H3BrF3NO/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3H
InChI Key	QQCRVTNJCBKIBH-UHFFFAOYSA-N
MDL Number	MFCD22378817
Molecular Formula	C8H3BrF3NO
Molecular Weight	266.0147
SMILES	N#CC1=CC=C(Br)C(OC(F)(F)F)=C1
Synonyms	4-Bromo-3-(trifluoromethoxy)benzonitrile, 928136-78-1, SCHEMBL1038946, QQCRVTNJCBKIBH-UHFFFAOYSA-N, ZX-AP001988, MFCD22378817, ZINC75759697, 4-bromo-3-trifluoromethoxybenzonitrile, AKOS027322775, FCH1616133, PC49242, AS-46352, CS-0084886, AS-813/43502023,

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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