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4- (2-Hydroxyethylamino) -3-nitrophenol

CAT: 0926-FH37090-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FH37090-01Size:250 g
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CAS Number
65235-31-6
MDL Number
MFCD02684022
Smiles
C1=CC (=C (C=C1O) [N+] (=O) [O-]) NCCO
Molecular Formula
C8H10N2O4
Molecular Weight
198.18 g/mol
Controlled
No

Chemical Information

4-[(2-Hydroxyethyl)amino]-3-nitrophenol
CAS Number65235-31-6
PubChem CID5488102
IUPAC Name4-(2-hydroxyethylamino)-3-nitrophenol
Molecular FormulaC8H10N2O4
Molecular Weight198.18
XLogP1.3
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity194
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])NCCO
InChI
InChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2
InChIKey
UXKLYBMQAHYULT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(2-Hydroxyethyl)amino]-3-nitrophenol
CAS: 65235-31-6
CID: 5488102
Formula: C8H10N2O4
MW: 198.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.18
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass198.06405680
Monoisotopic Mass198.06405680
Topological Polar Surface Area98.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity194
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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