AG000CX9

116632-33-8 | Quinoline, 3-bromo-5-nitro-

AG000CX9

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CAS Number	116632-33-8
Catalog Number	AG000CX9(AGN-PC-03CZ2O)
Chemical Name	Quinoline, 3-bromo-5-nitro-
IUPAC Name	3-bromo-5-nitroquinoline
InChI	InChI=1S/C9H5BrN2O2/c10-6-4-7-8(11-5-6)2-1-3-9(7)12(13)14/h1-5H
InChI Key	VBGNJJXCTAWOIU-UHFFFAOYSA-N
MDL Number	MFCD25956079
Molecular Formula	C9H5BrN2O2
Molecular Weight	253.0522
SMILES	O=[N+](C1=C2C=C(Br)C=NC2=CC=C1)[O-]
Synonyms	3-bromo-5-nitroquinoline, 116632-33-8, AK174468, Quinoline, 3-bromo-5-nitro-, SCHEMBL5505814, AKOS023411677, ZINC141763221, FCH2412018, AS-32794, CS-0094245,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.95344g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.05g/mol
Monoisotopic Mass	251.95344g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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