AG007OBY

22539-55-5 | 8-Chloro-5-nitroquinoline

AG007OBY

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CAS Number	22539-55-5
Catalog Number	AG007OBY(AGN-PC-0JNQW2)
Chemical Name	8-Chloro-5-nitroquinoline
IUPAC Name	8-chloro-5-nitroquinoline
InChI	InChI=1S/C9H5ClN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H
InChI Key	XSJNIKQCTPVESL-UHFFFAOYSA-N
MDL Number	MFCD00466079
Molecular Formula	C9H5ClN2O2
Molecular Weight	208.6012
NSC Number	74384
SMILES	O=[N+](C1=C2C=CC=NC2=C(Cl)C=C1)[O-]
Synonyms	8-Chloro-5-nitroquinoline, 22539-55-5, 8-chloro-5-nitro-quinoline, Quinoline, 8-chloro-5-nitro-, NSC74384, ACMC-209fxe, AC1L5LZJ, AC1Q1ZHN, CBMicro_006691, 5-nitro-8-chloroquinoline, AC1Q1X2O, Oprea1_262058, Oprea1_308627, Quinoline,8-chloro-5-nitro-, SCHEMBL6609076, NIOSH/VB3347000, CTK4E9682, DTXSID70291241, XSJNIKQCTPVESL-UHFFFAOYSA-N, ZINC231959, ACT10632, ALBB-024936, SMSF0004793, ANW-24912, MFCD00466079, NSC-74384, SBB072384, AKOS000117966, CB08990, MCULE-5245775001, NCGC00322172-01, AJ-18131, CJ-02561, BIM-0006422.P001, AB0050862, LS-141765, TR-010612, EU-0068402, FT-0739957, ST45028069, V4512, VB33470000, EN300-27726, B-8004, AB01317911-02, 539C555, F2179-0004, C9H5ClN2O2, ACN-S005078, AR-1H4492, CID252444, 25539-16-6,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.004g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.601g/mol
Monoisotopic Mass	208.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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