AG0013G6

1375108-40-9 | 3-Quinolinecarbonitrile, 7-bromo-

AG0013G6

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CAS Number	1375108-40-9
Catalog Number	AG0013G6(AGN-PC-0WAN4F)
Chemical Name	3-Quinolinecarbonitrile, 7-bromo-
IUPAC Name	7-bromoquinoline-3-carbonitrile
InChI	InChI=1S/C10H5BrN2/c11-9-2-1-8-3-7(5-12)6-13-10(8)4-9/h1-4,6H
InChI Key	QFRSJDDDOGXJKX-UHFFFAOYSA-N
MDL Number	MFCD23163823
Molecular Formula	C10H5BrN2
Molecular Weight	233.0641
SMILES	N#CC1=CC2=CC=C(Br)C=C2N=C1
Synonyms	7-Bromoquinoline-3-carbonitrile, 1375108-40-9, 3-Quinolinecarbonitrile, 7-bromo-, AK138405, SCHEMBL4535704, KS-00000RRB, DTXSID80739765, QFRSJDDDOGXJKX-UHFFFAOYSA-N, MFCD23163823, ZINC95830136, AKOS022174078, DS-6007, FCH2317919, AJ-134278, CS-0041777, 1-(2-amino-6-chlorophenyl)ethanone,

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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number