4-Chloro-5-nitroquinoline

CAT: 0127-OR1033633-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033633-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

40106-98-7

Purity

98%

Smiles

O=[N+](C1=C2C(Cl)=CC=NC2=CC=C1)[O-]

Chemical Information

4-Chloro-5-nitroquinoline

CAS Number	40106-98-7
PubChem CID	12582845
IUPAC Name	4-chloro-5-nitroquinoline
Molecular Formula	C9H5ClN2O2
Molecular Weight	208.60
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	231

SMILES

C1=CC2=NC=CC(=C2C(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H5ClN2O2/c10-6-4-5-11-7-2-1-3-8(9(6)7)12(13)14/h1-5H

InChIKey

DWKLLQSQXXCSEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40106-98-7

CID: 12582845

Formula: C9H5ClN2O2

MW: 208.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.60
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	208.0039551
Monoisotopic Mass	208.0039551
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231
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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