4-Chloro-3,5-Dinitrophenol

CAT: 1299-RG-A262249-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262249-01Size:10 mg

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CAS Number

184887-64-7

Synonyms

4-chloro-3,5-dinitrophenol

Molecular Formula

C6H3ClN2O5

Molecular Weight

218.55

Target Alternative Name

Iguratimod

Product Name Synonym

4-chloro-3,5-dinitrophenol

Chemical Information

4-Chloro-3,5-dinitrophenol

CAS Number	184887-64-7
PubChem CID	11085289
IUPAC Name	4-chloro-3,5-dinitrophenol
Molecular Formula	C6H3ClN2O5
Molecular Weight	218.55
XLogP	2.6
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	226

SMILES

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

InChI

InChI=1S/C6H3ClN2O5/c7-6-4(8(11)12)1-3(10)2-5(6)9(13)14/h1-2,10H

InChIKey

UNIKOJMONCWIPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 184887-64-7

CID: 11085289

Formula: C6H3ClN2O5

MW: 218.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.55
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	217.9730489
Monoisotopic Mass	217.9730489
Topological Polar Surface Area	112 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	226
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
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RG-A261680-01	3-Chloro-5-Methylisothiazol-4 (5H) -One
RG-A262662-01	4-Amino-3-Chloro-5-Methylbenzenesulfonic Acid
RG-H250495-01	5-Chloro-4-Hydroxyquinoline-3-Carboxylic Acid
RG-A262665-01	Ethyl 4-Amino-3-Chloro-5-Methylbenzenesulfonate
RG-T052008-01	3-Chloro-2,4,5-Trifluorobenzoyl Chloride
RG-P251833-01	(4-Chloro-3,5-Dimethylpyridin-2-Yl) Methanol

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