AG00FFCG

67197-53-9 | 2-(2,6-Dibromophenyl)acetonitrile

AG00FFCG

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CAS Number	67197-53-9
Catalog Number	AG00FFCG(AGN-PC-03GM1A)
Chemical Name	2-(2,6-Dibromophenyl)acetonitrile
IUPAC Name	2-(2,6-dibromophenyl)acetonitrile
InChI	InChI=1S/C8H5Br2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChI Key	OEJZMMCGURACCJ-UHFFFAOYSA-N
MDL Number	MFCD12196944
Molecular Formula	C8H5Br2N
Molecular Weight	274.9400
SMILES	BrC1=CC=CC(Br)=C1CC#N
Synonyms	2-(2,6-Dibromophenyl)acetonitrile, 67197-53-9, 2,6-dibromophenylacetonitrile, 2,6-Dibromobenzyl cyanide, Benzeneacetonitrile, 2,6-dibromo-, AK109874, 2,6-Dibromobenzeneacetonitrile, SCHEMBL8130103, (2,6-Dibromophenyl)acetonitrile, DTXSID20618762, OEJZMMCGURACCJ-UHFFFAOYSA-N, 0326AC, MFCD12196944, QC-197, ZINC35570392, AKOS015966684, FCH1342872, AJ-91590, AS-46305, CJ-18782, SC-66195, AB0061580, AX8226690, ST2409270, 4CH-016190, C8H5Br2N, 2,6-Dibromo-benzeneacetonitrile,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.877g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.943g/mol
Monoisotopic Mass	272.879g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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