AG000W89

1314687-82-5 | 3-Quinolinecarbonitrile, 6-bromo-

AG000W89

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CAS Number	1314687-82-5
Catalog Number	AG000W89(AGN-PC-0WAN4H)
Chemical Name	3-Quinolinecarbonitrile, 6-bromo-
IUPAC Name	6-bromoquinoline-3-carbonitrile
InChI	InChI=1S/C10H5BrN2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4,6H
InChI Key	ZTDLEPVDXZCSPL-UHFFFAOYSA-N
MDL Number	MFCD26130641
Molecular Formula	C10H5BrN2
Molecular Weight	233.0641
SMILES	N#CC1=CC2=CC(Br)=CC=C2N=C1
Synonyms	6-Bromoquinoline-3-carbonitrile, 1314687-82-5, AK138454, SCHEMBL12850742, KS-00000RRF, DTXSID80738278, 3-Quinolinecarbonitrile, 6-bromo-, MFCD26130641, ZINC83332124, AKOS022173938, CS-W005929, DS-6017, FCH2425470, AJ-125925, AX8260057, ST24045233,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.964g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.068g/mol
Monoisotopic Mass	231.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number