2,3-Dimethoxy-5-nitrophenol

CAT: 0127-OR86587-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR86587-01Size:100 mg

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CAS Number

32905-09-2

MDL Number

MFCD13659264

Purity

97%

Smiles

COC1=CC(=CC(=C1OC)O)[N+](=O)[O-]

Chemical Information

2,3-Dimethoxy-5-nitrophenol

CAS Number	32905-09-2
PubChem CID	22326867
IUPAC Name	2,3-dimethoxy-5-nitrophenol
Molecular Formula	C8H9NO5
Molecular Weight	199.16
XLogP	1.3
Topological Polar Surface Area	84.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	204

SMILES

COC1=CC(=CC(=C1OC)O)[N+](=O)[O-]

InChI

InChI=1S/C8H9NO5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3

InChIKey

OHKOOWDMYYNFBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32905-09-2

CID: 22326867

Formula: C8H9NO5

MW: 199.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.16
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	199.04807239
Monoisotopic Mass	199.04807239
Topological Polar Surface Area	84.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	204
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
OR1058839-01	4,5-Dimethoxy-2-nitrophenol
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PC9743-01	3,5-Difluoro-2-nitrophenol
OR1037346-01	3,5-Dimethoxy-2-nitropyridine
OR911920-01	2,3-Dimethoxy-5-methylhydroquinone
OR1082371	2,5-Dimethoxy-3-methylpyridine
OR1092910	2,3-dimethoxy-5-methylbenzaldehyde
OR1080574	2,3-dimethoxy-5-methylphenol
PC906804	3,5-Dimethoxy-2-fluoroaniline