4-Chloro-3,6-dinitroquinoline

CAT: 0926-PBA48790-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-PBA48790-01Size:50 mg

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CAS Number

39487-90-6

MDL Number

MFCD24369279

Smiles

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

Molecular Formula

C9H4ClN3O4

Molecular Weight

253.6 g/mol

Controlled

Chemical Information

4-Chloro-3,6-dinitroquinoline

CAS Number	39487-90-6
PubChem CID	71758461
IUPAC Name	4-chloro-3,6-dinitroquinoline
Molecular Formula	C9H4ClN3O4
Molecular Weight	253.60
XLogP	2.5
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	329

SMILES

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

InChI

InChI=1S/C9H4ClN3O4/c10-9-6-3-5(12(14)15)1-2-7(6)11-4-8(9)13(16)17/h1-4H

InChIKey

FINUNTLDSIYMAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39487-90-6

CID: 71758461

Formula: C9H4ClN3O4

MW: 253.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.60
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	252.9890333
Monoisotopic Mass	252.9890333
Topological Polar Surface Area	105 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	329
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
SAA25826-01	3-Chloro-4,6-dimethylpyridazine
EDA73922-01	6-Chloro-3,4'bipyridine
YJB39760-01	6-Chloro-3,4-dimethylpyridazine
CAA09621-01	6-Chloro-3,4-dimethoxypyridazine
TCA20605-01	4-Chloro-3,6-dimethylpyridazine
LAC49338-01	4-chloro-6-methoxypyridine-3-carbonitrile
GHA35592-01	6-chloro-4-iodo-3-methoxypyridazine
DBA68286-01	3-Chloro-6-methylpyridazin-4-amine
CHA78544-01	4-Chloro-2,3,6-trifluoroaniline
TEA66499-01	3-Chloro-4-fluoro-6-methylnitrobenzene

Catalog	Name
abx183786-01	6-Chloro-3,4-pyridinediamine
sc-289065	3-Chloro-4,6-dibromoquinoline
sc-290170A	4-Chloro-3,6-dibromoquinoline
OR310256	6-Chloro-3,4'bipyridine
OR351110	6-Chloro-3,4-diphenylcoumarin
sc-262828	6-Chloro-3,4-diaminepyridine
sc-278490	6-Chloro-3,4'-bipyridine
C18925	4-Chloro-3,6-pyridazinediol
OR27023	3-chloro-4,6-diphenylpyridazine
OR78747-01	6-Chloro-3,4-dimethoxypyridazine