CAS 167415-22-7|4-chloro-2-nitro-5-(trifluoromethyl)aniline|4-Chloro-2-nitro-5-(trifluoromethyl)aniline|4-chloro-2-nitro-5-(trifluoromethyl)aniline|5-Amino-2-chloro-4-nitrobenzotrifluoride 97%|2-Ami...

General Information

Structure

Molecular Formula

C₇H₄ClF₃N₂O₂

Molecular Mass

240.5670696

Exact Mass

239.99133972

Charge

InChI

InChI=1S/C7H4ClF3N2O2/c8-4-2-6(13(14)15)5(12)1-3(4)7(9,10)11/h1-2H,12H2

InChIKey

HLEWKRQSGSZHGO-UHFFFAOYSA-N

Canonic Smiles

Clc1cc([N+](=O)[O-])c(cc1C(F)(F)F)N

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

14.973292

H Acceptors

H Donor

LogD (pH = 5.5)

3.2161973

LogD (pH = 7.4)

3.2161973

Log P

3.2161973

Molar Refractivity

47.8574

Polarizability

16.844147

Polar Surface Area

69.16

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

4-chloro-2-nitro-5-(trifluoromethyl)aniline

Synonyms

4-Chloro-2-nitro-5-(trifluoromethyl)aniline2-Amino-5-chloro-4-(trifluoromethyl)nitrobenzene5-Amino-2-chloro-4-nitrobenzotrifluoride 97%4-Chloro-2-nitro-5-(trifluoromethyl)aniline5-Amino-2-chloro-4-nitrobenzotrifluoride2-Nitro-4-chloro-5-(trifluoroMethyl)aniline

IUPAC name

4-chloro-2-nitro-5-(trifluoromethyl)aniline

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number