AG00DHV7

50712-69-1 | 2-(Bromomethyl)-5-chlorobenzonitrile

AG00DHV7

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CAS Number	50712-69-1
Catalog Number	AG00DHV7(AGN-PC-0NJTMA)
Chemical Name	2-(Bromomethyl)-5-chlorobenzonitrile
IUPAC Name	2-(bromomethyl)-5-chlorobenzonitrile
InChI	InChI=1S/C8H5BrClN/c9-4-6-1-2-8(10)3-7(6)5-11/h1-3H,4H2
InChI Key	CYBMZAPDOKDQJF-UHFFFAOYSA-N
MDL Number	MFCD09909826
Molecular Formula	C8H5BrClN
Molecular Weight	230.4890
SMILES	N#CC1=CC(Cl)=CC=C1CBr
Synonyms	2-(bromomethyl)-5-chlorobenzonitrile, 50712-69-1, 4-CHLORO-2-CYANOBENZYL BROMIDE, AK-45443, Q-103448, SCHEMBL2451732, CTK4J3041, KS-00000MGL, DTXSID90506243, CYBMZAPDOKDQJF-UHFFFAOYSA-N, 2-bromomethyl-5-chlorobenzonitrile, 2-Bromomethyl-5-chloro-benzonitrile, ANW-46548, CB0069, MFCD09909826, ZINC39261975, AKOS015890899, AB55029, CS-W004350, EBD2193487, FCH1395566, GS-3799, ACM50712691, AJ-99492, CJ-19894, SC-32011, AB0025179, AX8062924, DB-002259, ST2416170, TC-071979, 4CH-014695, FT-0704182, W6595, A25650, EN300-136859, M-9258, I01-8687, C8H5BrClN, 2- -5-CHLOROBENZONITRILE, ACN-038950,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.929g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.489g/mol
Monoisotopic Mass	228.929g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

Lot Number