AG00H1TK

936693-22-0 | 2-(2-Bromo-6-fluorophenyl)acetonitrile

AG00H1TK

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CAS Number	936693-22-0
Catalog Number	AG00H1TK(AGN-PC-0WNPTI)
Chemical Name	2-(2-Bromo-6-fluorophenyl)acetonitrile
IUPAC Name	2-(2-bromo-6-fluorophenyl)acetonitrile
InChI	InChI=1S/C8H5BrFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChI Key	QFEXNLSISKHIBO-UHFFFAOYSA-N
MDL Number	MFCD11226884
Molecular Formula	C8H5BrFN
Molecular Weight	214.0344
SMILES	C1=CC(=C(CC#N)C(=C1)F)Br
Synonyms	936693-22-0, 2-(2-BROMO-6-FLUOROPHENYL)ACETONITRILE, 2-BROMO-6-FLUOROPHENYLACETONITRILE, MFCD11226884, SCHEMBL534442, QFEXNLSISKHIBO-UHFFFAOYSA-N, ZINC72284342, AKOS023117334, FCH1327434, MB09725, 2-BroMo-6-fluorophenylacetonitrile, 96%, BBV-40203273, PC408235, AX8227698, 2-Bromo-6-fluorophenylacetonitrile, AldrichCPR,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.037g/mol
Monoisotopic Mass	212.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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