8-Nitroquinoline-4-carbaldehyde

CAT: 0127-OR1059718-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059718-01Size:100 mg

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CAS Number

69976-28-9

MDL Number

MFCD06824406

Purity

98%

Smiles

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

Chemical Information

8-Nitroquinoline-4-carbaldehyde

CAS Number	69976-28-9
PubChem CID	12468810
IUPAC Name	8-nitroquinoline-4-carbaldehyde
Molecular Formula	C10H6N2O3
Molecular Weight	202.17
XLogP	1.5
Topological Polar Surface Area	75.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	264

SMILES

C1=CC2=C(C=CN=C2C(=C1)[N+](=O)[O-])C=O

InChI

InChI=1S/C10H6N2O3/c13-6-7-4-5-11-10-8(7)2-1-3-9(10)12(14)15/h1-6H

InChIKey

XJYXBOSMRSJTEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69976-28-9

CID: 12468810

Formula: C10H6N2O3

MW: 202.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.17
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	202.03784206
Monoisotopic Mass	202.03784206
Topological Polar Surface Area	75.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	264
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
OR78833-01	8-Nitroquinoline-5-carbaldehyde
OR72185-01	8-Nitroquinoline-7-carbaldehyde
OR1064964-01	8-Hydroxy-5-nitroquinoline-2-carbaldehyde
OR85348-01	4-Bromo-8-nitroquinoline
OR90689-01	4-Chloro-8-nitroquinoline
OR93029-01	4-Methyl-8-nitroquinoline
OR1102443-01	6-Nitroquinoline-2-carbaldehyde
OR7258	8-Nitroquinoline
OR1070143-01	2,4-Dichloro-8-nitroquinoline
OR1050827-01	8-Nitroquinoline-4-carboxylic acid

Catalog	Name
KJB75826-01	5-Nitroquinoline-8-carbaldehyde
FH135078-01	8-Hydroxy-5-nitroquinoline-2-carbaldehyde
FN12519-01	8-Nitroquinoline
N11750	8-Nitroquinoline 98%
sc-267551	4-hydroxy-8-methyl-3-nitroquinoline
DAA74115-01	4-Nitroquinoline
BRB86170-01	4-Chloro-8-fluoro-3-nitroquinoline
GCA98307-01	4-Chloro-2-methyl-8-nitroquinoline
GWC47310-01	4-Chloroquinoline-8-carbaldehyde
WUA79230-01	8-Fluoroquinoline-4-carbaldehyde