AG0030L2

305800-60-6 | Benzeneacetonitrile, 5-bromo-2-fluoro-

AG0030L2

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CAS Number	305800-60-6
Catalog Number	AG0030L2(AGN-PC-044DL3)
Chemical Name	Benzeneacetonitrile, 5-bromo-2-fluoro-
IUPAC Name	2-(5-bromo-2-fluorophenyl)acetonitrile
InChI	InChI=1S/C8H5BrFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2
InChI Key	CVMIQENCTVIYOH-UHFFFAOYSA-N
MDL Number	MFCD09804785
Molecular Formula	C8H5BrFN
Molecular Weight	214.0344
SMILES	N#CCC1=CC(Br)=CC=C1F
Synonyms	2-(5-Bromo-2-fluorophenyl)acetonitrile, 305800-60-6, 5-bromo-2-fluorophenylacetonitrile, (5-bromo-2-fluorophenyl)acetonitrile, Benzeneacetonitrile, 5-bromo-2-fluoro-, AK-94405, EN300-40311, AC1Q4L4D, KSC821C8P, SCHEMBL138085, CTK7C1187, KS-00000EKQ, DTXSID80634625, CVMIQENCTVIYOH-UHFFFAOYSA-N, 5-Bromo-2-fluorobenzeneacetonitrile, ANW-44026, BBL103056, CL8797, MFCD09804785, STL556865, ZINC19275005, AKOS000151939, AM83201, BBV-043073, DS-2110, FCH5460143, MCULE-8985742484, (5-Bromo-2-fluoro-phenyl)-acetonitrile, 2-(5-Bromo-2-fluoro-phenyl)acetonitrile, AC-30066, AJ-72767, CJ-16066, PC500188, SC-83241, SY060215, AB0060624, AX8231731, ST2409345, TC-132771, 4CH-011822, Z4581, MFCD09804785 (96%), M-9292, AB01001381-01, C8H5BrFN,

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
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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