4-Methyl-8-nitroquinoline

CAT: 0127-OR93029-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR93029-01Size:250 mg

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CAS Number

2801-29-8

MDL Number

MFCD00234625

Purity

96%

Smiles

CC1=CC=NC2=C(C=CC=C12)[N+](=O)[O-]

Chemical Information

4-Methyl-8-nitroquinoline

CAS Number	2801-29-8
PubChem CID	76048
IUPAC Name	4-methyl-8-nitroquinoline
Molecular Formula	C10H8N2O2
Molecular Weight	188.18
XLogP	2.6
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=C2C=CC=C(C2=NC=C1)[N+](=O)[O-]

InChI

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

InChIKey

ZNGIJEBXIREQLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2801-29-8

CID: 76048

Formula: C10H8N2O2

MW: 188.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.18
XLogP3	2.6
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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