AG001OGK

156001-53-5 | Benzonitrile, 5-bromo-2-(bromomethyl)-

AG001OGK

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CAS Number	156001-53-5
Catalog Number	AG001OGK(AGN-PC-072IHU)
Chemical Name	Benzonitrile, 5-bromo-2-(bromomethyl)-
IUPAC Name	5-bromo-2-(bromomethyl)benzonitrile
InChI	InChI=1S/C8H5Br2N/c9-4-6-1-2-8(10)3-7(6)5-11/h1-3H,4H2
InChI Key	RPQAJIVYLBTILC-UHFFFAOYSA-N
MDL Number	MFCD09261033
Molecular Formula	C8H5Br2N
Molecular Weight	274.9400
SMILES	BrC=1C=CC(=C(C#N)C1)CBr
Synonyms	5-bromo-2-(bromomethyl)benzonitrile, 156001-53-5, 5-Bromo-2-bromomethylbenzonitrile, 4-BROMO-2-CYANOBENZYL BROMIDE, Benzonitrile, 5-bromo-2-(bromomethyl)-, AK185343, SCHEMBL365958, CTK4C8922, DTXSID00657876, RPQAJIVYLBTILC-UHFFFAOYSA-N, 5-bromo-2-bromomethyl-benzonitrile, MFCD09261033, ZINC97756571, Benzonitrile,5-bromo-2-(bromomethyl)-, CS-W004349, FCH1391912, BBV-40268019, DS-10039, SC-69335, FT-0709784, TL80090458, EN300-107185, 4-Bromo-1-(bromomethyl)-2-methylbenzene,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.877g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.943g/mol
Monoisotopic Mass	272.879g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number