4-hydroxy-8-methyl-3-nitroquinoline

CAT: 0024-sc-267551Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-267551Size:10 mg

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CAS Number

866472-97-1

Chemical Information

4-Hydroxy-8-methyl-3-nitroquinoline

CAS Number	866472-97-1
PubChem CID	27282286
IUPAC Name	8-methyl-3-nitro-1H-quinolin-4-one
Molecular Formula	C10H8N2O3
Molecular Weight	204.18
XLogP	2
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	332

SMILES

CC1=C2C(=CC=C1)C(=O)C(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O3/c1-6-3-2-4-7-9(6)11-5-8(10(7)13)12(14)15/h2-5H,1H3,(H,11,13)

InChIKey

QXRFLACAYRMCOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 866472-97-1

CID: 27282286

Formula: C10H8N2O3

MW: 204.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.18
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	204.05349212
Monoisotopic Mass	204.05349212
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	332
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-233708B	8-Hydroxy-5-nitroquinoline
sc-233708	8-Hydroxy-5-nitroquinoline
sc-233708A	8-Hydroxy-5-nitroquinoline
sc-265812	2-Methyl-8-nitroquinoline
sc-278627	7-Methyl-8-nitroquinoline
sc-268391	7-Fluoro-4-hydroxy-3-nitroquinoline
sc-268381	7-chloro-4-hydroxy-3-nitroquinoline
sc-268330	6,7-Dimethoxy-4-hydroxy-3-nitroquinoline
sc-233711	8-Nitroquinoline

Catalog	Name
OR93029-01	4-Methyl-8-nitroquinoline
OR1045349-01	3-Methyl-8-nitroquinoline
OR52247-01	4-Hydroxy-3-nitroquinoline
OR183494	4-Hydroxy-8-nitroquinoline-3-carboxylic acid
OR183511-01	Ethyl 4-hydroxy-8-nitroquinoline-3-carboxylate
OR13235-01	8-Hydroxy-6-nitroquinoline
OR5948-01	8-Hydroxy-5-nitroquinoline
908006	8‐HYDROXY‐5‐NITROQUINOLINE
OR300364-01	4-Methyl-3-nitroquinoline
PC407043	6-Fluoro-4-hydroxy-2-methyl-3-nitroquinoline