7-Methyl-8-nitroquinoline

CAT: 0127-OR50941-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR50941-01Size:5 g

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CAS Number

7471-63-8

MDL Number

MFCD00041234

Purity

=95%

Smiles

Cc1ccc2cccnc2c1[N+](=O)[O-]

Chemical Information

7-Methyl-8-nitroquinoline

CAS Number	7471-63-8
PubChem CID	81981
IUPAC Name	7-methyl-8-nitroquinoline
Molecular Formula	C10H8N2O2
Molecular Weight	188.18
XLogP	2.4
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	227

SMILES

CC1=C(C2=C(C=CC=N2)C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O2/c1-7-4-5-8-3-2-6-11-9(8)10(7)12(13)14/h2-6H,1H3

InChIKey

ZZDTVYJYMRSNQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7471-63-8

CID: 81981

Formula: C10H8N2O2

MW: 188.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.18
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	188.058577502
Monoisotopic Mass	188.058577502
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227
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

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Catalog	Name
TRC-M339430-50MG	7-Methyl-8-nitroquinoline
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