AG007P6T

217661-27-3 | 2-(Bromomethyl)-5-fluorobenzonitrile

AG007P6T

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CAS Number	217661-27-3
Catalog Number	AG007P6T(AGN-PC-03J55T)
Chemical Name	2-(Bromomethyl)-5-fluorobenzonitrile
IUPAC Name	2-(bromomethyl)-5-fluorobenzonitrile
InChI	InChI=1S/C8H5BrFN/c9-4-6-1-2-8(10)3-7(6)5-11/h1-3H,4H2
InChI Key	SROUFENEQQOQIW-UHFFFAOYSA-N
MDL Number	MFCD09261046
Molecular Formula	C8H5BrFN
Molecular Weight	214.0344
SMILES	FC1=CC(C#N)=C(CBr)C=C1
Synonyms	2-(bromomethyl)-5-fluorobenzonitrile, 217661-27-3, 2-cyano-4-fluorobenzyl bromide, 2-cyano-4-fluorobenzylbromide, AK-94123, EN300-68442, AC1Q4LM3, SCHEMBL534825, Bromomethyl-5-fluorobenzonitrile, CTK4E7646, 2-Cyano-4-fluoro-benzyl bromide, DTXSID10621523, SROUFENEQQOQIW-UHFFFAOYSA-N, 2-Bromomethyl-5-fluorobenzonitrile, 3-Fluoro-6-bromomethylbenzonitrile, KS-00000L0J, 1052AB, ANW-65582, CL8697, MFCD09261046, ZINC37594134, AKOS012409321, FCH2606007, Benzonitrile,2-(bromomethyl)-5-fluoro-, ACM217661273, AJ-94124, AM803525, BBV-39184027, BC679476, DS-17921, PC500527, QC-11055, SC-97908, AB0087480, AX8040933, DB-066626, TC-062394, TC-154327, FT-0647009, ST24039587, TL80090116, X-1218, 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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	danger
UN Code	UN 3261

Certificate of Analysis

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