AG00250X

176967-80-9 | Quinoline, 5-bromo-8-nitro-

AG00250X

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CAS Number	176967-80-9
Catalog Number	AG00250X(AGN-PC-0JT96Y)
Chemical Name	Quinoline, 5-bromo-8-nitro-
IUPAC Name	5-bromo-8-nitroquinoline
InChI	InChI=1S/C9H5BrN2O2/c10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h1-5H
InChI Key	FELNBLNDYLAJLB-UHFFFAOYSA-N
MDL Number	MFCD00466078
Molecular Formula	C9H5BrN2O2
Molecular Weight	253.0522
SMILES	O=[N+](C1=C2N=CC=CC2=C(Br)C=C1)[O-]
Synonyms	5-Bromo-8-nitroquinoline, 176967-80-9, 5-Bromo-8-nitro-quinoline, Quinoline, 5-bromo-8-nitro-, FELNBLNDYLAJLB-UHFFFAOYSA-N, BAS 01153122, AC1LBF4C, AC1Q1YWU, AC1Q1XF7, 5-Bromo-8-nitroquinoline #, SCHEMBL5188552, CTK4D6376, KS-00000IAD, ZINC78145, DTXSID90342426, 9282AA, MFCD00466078, STK367093, AKOS000555891, MCULE-2907105780, AJ-10434, AK-63169, DS-15195, DB-065170, ST4045611, TX-011187, CS-0041420, EU-0085339, FT-0713872, SR-01000523977, SR-01000523977-1, A1991/0083708, C9H5BrN2O2, AR-1G7502, CID581618, ACN-054231, 1777-56-6,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.953g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.055g/mol
Monoisotopic Mass	251.953g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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