AG0005SM

101861-61-4 | 4-Quinolinol, 6-chloro-3-nitro-

AG0005SM

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CAS Number	101861-61-4
Catalog Number	AG0005SM(AGN-PC-0NVAL4)
Chemical Name	4-Quinolinol, 6-chloro-3-nitro-
IUPAC Name	6-chloro-3-nitro-1H-quinolin-4-one
InChI	InChI=1S/C9H5ClN2O3/c10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15/h1-4H,(H,11,13)
InChI Key	OBLXWQXWGDQTSW-UHFFFAOYSA-N
MDL Number	MFCD09800425
Molecular Formula	C9H5ClN2O3
Molecular Weight	224.6006
SMILES	OC1=C([N+]([O-])=O)C=NC2=CC=C(Cl)C=C12
Synonyms	6-Chloro-3-nitroquinolin-4-ol, 101861-61-4, 6-chloro-3-nitro-1H-quinolin-4-one, 4-Quinolinol,6-chloro-3-nitro-, 6-chloro-3-nitro-quinolin-4-ol, 4-Quinolinol, 6-chloro-3-nitro-, AK164406, 6-chloro-3-nitro-4-Quinolinol, ACMC-1BV7I, SCHEMBL404980, CTK4A0339, KS-00000FEM, DTXSID30650693, OBLXWQXWGDQTSW-UHFFFAOYSA-N, MFCD09800425, ZINC16697617, 6-Chloro-3-nitroquinolin-4(1H)-one, AKOS025146616, AKOS027342799, AC-9250, AN-7206, DS-8577, BC656472, AB0075771, AX8108820, DB-058714, CS-0041959, FT-0770190, X-2455,

Complexity	337
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.999g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.6g/mol
Monoisotopic Mass	223.999g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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