2-Chloro-4-fluoro-6-nitrophenol

CAT: 0127-PC10642-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC10642-01Size:100 mg

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CAS Number

58348-98-4

Synonyms

3-Chloro-5-fluoro-2-hydroxynitrobenzene

MDL Number

MFCD05670393

Purity

95%

Smiles

Oc1c(Cl)cc(F)cc1[N+](=O)[O-]

Chemical Information

2-Chloro-4-fluoro-6-nitrophenol

CAS Number	58348-98-4
PubChem CID	3727886
IUPAC Name	2-chloro-4-fluoro-6-nitrophenol
Molecular Formula	C6H3ClFNO3
Molecular Weight	191.54
XLogP	3
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	186

SMILES

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

InChI

InChI=1S/C6H3ClFNO3/c7-4-1-3(8)2-5(6(4)10)9(11)12/h1-2,10H

InChIKey

PLBDUVIWPGCVIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58348-98-4

CID: 3727886

Formula: C6H3ClFNO3

MW: 191.54

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.54
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	190.9785488
Monoisotopic Mass	190.9785488
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186
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