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2-Amino-3-hydroxynitrobenzene

CAT: 0013-GTR19245772-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245772-01Size:100 g
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Description
2-Amino-3-hydroxynitrobenzene is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
603-85-0
Smiles
OC1=C (C ([N+] ([O-]) =O) =CC=C1) N
Molecular Formula
C6H6N2O3
Molecular Weight
154.1234
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Amino-3-Nitrophenol
CAS Number603-85-0
PubChem CID4115495
IUPAC Name2-amino-3-nitrophenol
Molecular FormulaC6H6N2O3
Molecular Weight154.12
XLogP1.6
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity156
SMILES
C1=CC(=C(C(=C1)O)N)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
InChIKey
KUCWUAFNGCMZDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-3-Nitrophenol
CAS: 603-85-0
CID: 4115495
Formula: C6H6N2O3
MW: 154.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.12
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass154.03784206
Monoisotopic Mass154.03784206
Topological Polar Surface Area92.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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