AG0030L3

305800-58-2 | Benzeneacetonitrile, 3-bromo-5-fluoro-

AG0030L3

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CAS Number	305800-58-2
Catalog Number	AG0030L3(AGN-PC-044DL7)
Chemical Name	Benzeneacetonitrile, 3-bromo-5-fluoro-
IUPAC Name	2-(3-bromo-5-fluorophenyl)acetonitrile
InChI	InChI=1S/C8H5BrFN/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
InChI Key	FSKMLBLIAOVQCF-UHFFFAOYSA-N
MDL Number	MFCD09258960
Molecular Formula	C8H5BrFN
Molecular Weight	214.0344
SMILES	N#CCC1=CC(F)=CC(Br)=C1
Synonyms	305800-58-2, 3-Bromo-5-fluorophenylacetonitrile, 2-(3-bromo-5-fluorophenyl)acetonitrile, 3-Bromo-5-fluorobenzyl cyanide, Benzeneacetonitrile, 3-bromo-5-fluoro-, MFCD09258960, 2-[3-bromo-5-fluorophenyl]acetonitrile, SCHEMBL332715, CTK7C9691, FSKMLBLIAOVQCF-UHFFFAOYSA-N, KS-00003R6F, ZX-AP004483, PC9277, SBB094880, ZINC16159970, AKOS017344393, FCH1327255, PS-7968, 2-(3-bromo-5-fluorophenyl)ethanenitrile, AK314004, BBV-40203094, BC650560, EN300-207094, Z2037257264,

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	H301
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code	UN 2811

Certificate of Analysis

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