AG00185Y

1381944-30-4 | 2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile

AG00185Y

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CAS Number	1381944-30-4
Catalog Number	AG00185Y(AGN-PC-0J2CBS)
Chemical Name	2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
IUPAC Name	2-[5-bromo-2-(trifluoromethoxy)phenyl]acetonitrile
InChI	InChI=1S/C9H5BrF3NO/c10-7-1-2-8(15-9(11,12)13)6(5-7)3-4-14/h1-2,5H,3H2
InChI Key	CPMGKPWSHGWONW-UHFFFAOYSA-N
MDL Number	MFCD22375096
Molecular Formula	C9H5BrF3NO
Molecular Weight	280.0413
SMILES	FC(F)(F)OC1=CC=C(Br)C=C1CC#N
Synonyms	2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile, 1381944-30-4, ACMC-209cfp, C9H5BrF3NO, CTK8B0703, DTXSID00743026, ANW-20387, MFCD22375096, ZINC85477281, AS-46440, CJ-22462, TC-109132, V2807, 5-bromo-2-(trifluoromethoxy)phenylacetonitrile, K-4466, [5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile, Benzeneacetonitrile, 5-bromo-2-(trifluoromethoxy)-,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.951g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	280.044g/mol
Monoisotopic Mass	278.951g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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