AG000RY1

1261686-95-6 | Benzonitrile, 2-(bromomethyl)-6-fluoro-

AG000RY1

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CAS Number	1261686-95-6
Catalog Number	AG000RY1(AGN-PC-0FZKHT)
Chemical Name	Benzonitrile, 2-(bromomethyl)-6-fluoro-
IUPAC Name	2-(bromomethyl)-6-fluorobenzonitrile
InChI	InChI=1S/C8H5BrFN/c9-4-6-2-1-3-8(10)7(6)5-11/h1-3H,4H2
InChI Key	CRAVAKDETSEXDE-UHFFFAOYSA-N
MDL Number	MFCD18394042
Molecular Formula	C8H5BrFN
Molecular Weight	214.0344
SMILES	BrCC1=C(C#N)C(=CC=C1)F
Synonyms	2-(bromomethyl)-6-fluorobenzonitrile, 1261686-95-6, 2-CYANO-3-FLUOROBENZYL BROMIDE, SCHEMBL16949914, KS-00000LO2, CL9172, MFCD18394042, ZINC82864458, AKOS014098308, FCH5690531, AK380713, BBV-39184079, Benzonitrile, 2-(bromomethyl)-6-fluoro-, DS-13180, PC500549, EN300-152774,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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