6-Methoxy-8-nitroquinoline

CAT: 0127-OR2347-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR2347-01Size:1 g

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CAS Number

85-81-4

MDL Number

MFCD00006802

Purity

99%

Smiles

COc1cc(c2ncccc2c1)[N+](=O)[O-]

Chemical Information

6-Methoxy-8-nitroquinoline

CAS Number	85-81-4
PubChem CID	6822
IUPAC Name	6-methoxy-8-nitroquinoline
Molecular Formula	C10H8N2O3
Molecular Weight	204.18
XLogP	1.9
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	241

SMILES

COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]

InChI

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

InChIKey

MIMUSZHMZBJBPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 85-81-4

CID: 6822

Formula: C10H8N2O3

MW: 204.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.18
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	204.05349212
Monoisotopic Mass	204.05349212
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	241
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
OR77812-01	5-Methoxy-8-nitroquinoline
OR93242-01	8-Chloro-6-nitroquinoline
OR74042-01	6-Bromo-8-nitroquinoline
OR94817-01	8-Bromo-6-nitroquinoline
PC200498	6-Fluoro-8-nitroquinoline
OR13235-01	8-Hydroxy-6-nitroquinoline
OR1012009-01	6-Chloro-8-Nitroquinoline
OR1040272-01	6-Iodo-8-nitroquinoline
OR1047429-01	4-Chloro-8-methoxy-3-nitroquinoline
OR1002274-01	3,8-Dibromo-6-nitroquinoline

Catalog	Name
sc-233613	6-Methoxy-8-nitroquinoline
sc-351630A	8-methoxy-5-nitroquinoline
sc-207179	7-Methoxy-8-nitroquinoline
282182-01	6-Methoxy-5-nitroquinoline
TCA52766	6-chloro-8-nitroquinoline
438589-01	6-Fluoro-8-nitroquinoline
68420-92-8	6-Methyl-8-nitroquinoline
DAB28491-01	4-Chloro-6-methoxy-3-nitroquinoline
FN12519-01	8-Nitroquinoline
437202-01	5,6-Dimethoxy-8-nitroquinoline