CAS 99-57-0|2-amino-4-nitrophenol|2-amino-4-nitrophenol|2-Amino-4-nitrophenol|2-AMINO-4-NITRO PHENOL|2-Hydroxy-5-nitroaniline|NSC 4664|5-Nitro-2-hydroxyaniline|4-Nitro-2-amino-1-hydroxybenzene|2-羟...

General Information

Structure

Molecular Formula

C₆H₆N₂O₃

Molecular Mass

154.12344

Exact Mass

154.03784206

Charge

InChI

InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2

InChIKey

VLZVIIYRNMWPSN-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1ccc(c(c1)N)O

Isomeric Smiles

[N+](=O)(c1ccc(c(c1)N)O)[O-]

Calculated Properties

JChem

Acid pKa

7.861511

H Acceptors

H Donor

LogD (pH = 5.5)

0.778735

LogD (pH = 7.4)

0.6527817

Log P

0.7807387

Molar Refractivity

39.0598

Polarizability

14.029076

Polar Surface Area

89.39

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-amino-4-nitrophenol

IUPAC name

2-amino-4-nitrophenol

Synonyms

2-Amino-4-nitrophenol2-AMINO-4-NITRO PHENOL2-Hydroxy-5-nitroaniline5-Nitro-2-hydroxyanilineNSC 46644-Nitro-2-amino-1-hydroxybenzene2-羟基-5-硝基苯胺C.I. 76530p-Nitro-o-aminophenol1-Amino-2-hydroxy-5-nitrobenzene1-Hydroxy-2-amino-4-nitrobenzene4-Nitro-2-aminophenol2-氨基-4-硝基苯酚2-Amino-4-nitrophenol

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem CID