AG006920

98203-04-4 | 6-Bromo-5-nitroquinoline

AG006920

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CAS Number	98203-04-4
Catalog Number	AG006920(AGN-PC-0JP517)
Chemical Name	6-Bromo-5-nitroquinoline
IUPAC Name	6-bromo-5-nitroquinoline
InChI	InChI=1S/C9H5BrN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H
InChI Key	ISBMTVQQECNRQY-UHFFFAOYSA-N
MDL Number	MFCD00837754
Molecular Formula	C9H5BrN2O2
Molecular Weight	253.0522
NSC Number	132317
SMILES	O=[N+](C1=C2C=CC=NC2=CC=C1Br)[O-]
Synonyms	6-bromo-5-nitroquinoline, 98203-04-4, 6-bromo-5-nitro-quinoline, AK-39409, NSC132317, 5-Nitro-6-bromoquinoline, ACMC-209s9y, AC1L5SL6, Quinoline, 6-bromo-5-nitro-, SCHEMBL4079065, CTK5H9764, KS-00000IFG, DTXSID10299726, ISBMTVQQECNRQY-UHFFFAOYSA-N, ZINC1719621, ANW-40916, AKOS015833961, DS-3083, FCH1332074, NSC-132317, AJ-30961, AN-34653, CJ-06857, AX8168450, DB-080499, TR-030300, FT-0726910, ST24045209, V9905, B-1283, 203B044, C9H5BrN2O2, D-1,2,3,4,5,6-Hexanehexol, CID280563, (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol,

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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number