AG00EBQ8

635723-84-1 | 3-Fluoro-2-(bromomethyl)benzonitrile

AG00EBQ8

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CAS Number	635723-84-1
Catalog Number	AG00EBQ8(AGN-PC-03Y3YN)
Chemical Name	3-Fluoro-2-(bromomethyl)benzonitrile
IUPAC Name	2-(bromomethyl)-3-fluorobenzonitrile
InChI	InChI=1S/C8H5BrFN/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2
InChI Key	QCKKUQZIPJBLQF-UHFFFAOYSA-N
MDL Number	MFCD12025416
Molecular Formula	C8H5BrFN
Molecular Weight	214.0344
SMILES	N#CC1=CC=CC(F)=C1CBr
Synonyms	2-(bromomethyl)-3-fluorobenzonitrile, 635723-84-1, 3-Fluoro-2-(bromomethyl)benzonitrile, 2-cyano-6-fluorobenzylbromide, 2-Cyano-6-fluorobenzyl bromide, 2-BROMOMETHYL-3-FLUOROBENZONITRILE, AK-94362, SCHEMBL379748, CTK5B9480, KS-00000QKX, DTXSID70630237, ANW-69492, CL8701, MFCD12025416, ZINC37594113, AKOS015995391, 2-FLUORO-6-CYANOBENZYL BROMIDE, AS02604, CS-W021429, FCH1409215, Benzonitrile,2-(bromomethyl)-3-fluoro-, AJ-94112, DS-17960, PC500524, SC-87533, AB0068374, AX8237899, TC-158237, 4CH-021760, A8753, FT-0081765, FT-0651222, ST24039578, X-3236,

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	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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