CAS 121-01-7|4-nitro-2-(trifluoromethyl)aniline|4-nitro-2-(trifluoromethyl)aniline|2-Amino-5-nitrobenzotrifluoride|2-Amino-5-nitrobenzotrifluoride 98%|4-Nitro-2-(trifluoromethyl)aniline|4-硝基-2-三氟...

General Information

Structure

Molecular Formula

C₇H₅F₃N₂O₂

Molecular Mass

206.1220096

Exact Mass

206.03031207

Charge

InChI

InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H2

InChIKey

HOTZLWVITTVZGY-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

c1(c(ccc(c1)[N+](=O)[O-])N)C(F)(F)F

Calculated Properties

JChem

Acid pKa

16.458588

H Acceptors

H Donor

LogD (pH = 5.5)

1.962152

LogD (pH = 7.4)

1.9621525

Log P

1.9621525

Molar Refractivity

43.0526

Polarizability

14.821541

Polar Surface Area

69.16

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-nitro-2-(trifluoromethyl)aniline

IUPAC Traditional name

4-nitro-2-(trifluoromethyl)aniline

Synonyms

2-Amino-5-nitrobenzotrifluoride2-Amino-5-nitrobenzotrifluoride 98%4-Nitro-2-(trifluoromethyl)aniline2-Amino-5-nitrobenzotrifluoride4-Nitro-α,α,α-trifluoro-o-toluidine4-硝基-2-三氟甲基苯胺4-Nitro-2-(trifluoromethyl)aniline4-硝基-α,α,α-三氟邻甲苯胺2-氨基-5-硝基三氟甲苯4-Nitro-2-(trifluoromethyl)aniline4-Nitro-2-trifluoromethylaniline4-硝基-2-(三氟甲基)苯氨

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

MDL Number

EC Number

PubChem CID