4,6-dihydroxy-3-nitroquinoline

CAT: 0024-sc-267819Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-267819Size:10 mg

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CAS Number

855764-13-5

Chemical Information

6-Hydroxy-3-nitroquinolin-4(1H)-one

CAS Number	855764-13-5
PubChem CID	27282122
IUPAC Name	6-hydroxy-3-nitro-1H-quinolin-4-one
Molecular Formula	C9H6N2O4
Molecular Weight	206.15
XLogP	1.2
Topological Polar Surface Area	95.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	333

SMILES

C1=CC2=C(C=C1O)C(=O)C(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O4/c12-5-1-2-7-6(3-5)9(13)8(4-10-7)11(14)15/h1-4,12H,(H,10,13)

InChIKey

SHRVVCZZXGXDSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 855764-13-5

CID: 27282122

Formula: C9H6N2O4

MW: 206.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.15
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	206.03275668
Monoisotopic Mass	206.03275668
Topological Polar Surface Area	95.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	333
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-267549	4-hydroxy-6-methyl-3-nitroquinoline
sc-351305A	6-bromo-4-chloro-3-nitroquinoline
sc-351305	6-bromo-4-chloro-3-nitroquinoline
sc-233638	6-Nitroquinoline
sc-268330	6,7-Dimethoxy-4-hydroxy-3-nitroquinoline
sc-209998	4-Chloro-3-nitroquinoline
sc-232155	3,6-Dihydroxy-4-methylpyridazine
sc-322722	3,4-Dihydroxy-6-nitrobenzaldehyde
sc-504955	4- (3-Chloro-4-fluoroanilino) -3-cyano-7-ethyloxy-6-nitroquinoline
sc-231261	2',4-Dihydroxy-3,4',6'-trimethoxychalcone

Catalog	Name
GTR19254315-01	2,4-Dihydroxy-3-nitroquinoline
NAA67594	4-Chloro-6-nitroquinoline
YAA43242	4-Hydroxy-6-nitroquinoline
OR85069-01	4-Bromo-6-nitroquinoline
264418-01	6-Bromo-4-chloro-3-nitroquinoline
OR1036323-01	4-Chloro-6-methyl-3-nitroquinoline
OR1076221	4-Hydroxy-6-iodo-3-nitroquinoline
OR1076118	3-Bromo-4-chloro-6-nitroquinoline
OR1050034-01	4-Chloro-6-nitroquinoline-3-carbonitrile
VDC44725-01	4-Chloro-6-iodo-3-nitroquinoline