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Home Halogens 2-Amino-5-chlorobenzotrifluoride

2-Amino-5-chlorobenzotrifluoride

CAS No.:
445-03-4
Catalog Number:
AG003L2C
Molecular Formula:
C7H5ClF3N
Molecular Weight:
195.5695
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
Product Description
Catalog Number:
AG003L2C
Chemical Name:
2-Amino-5-chlorobenzotrifluoride
CAS Number:
445-03-4
Molecular Formula:
C7H5ClF3N
Molecular Weight:
195.5695
MDL Number:
MFCD00007841
IUPAC Name:
4-chloro-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChI Key:
CVINWVPRKDIGLL-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(F)(F)F)N
EC Number:
207-151-3
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.006g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.569g/mol
Monoisotopic Mass:
195.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 4-chloro-2-(trifluoromethyl) aniline based on DFT calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120201
Non-target screening analysis of river water as compound-related base for monitoring measures. Environmental science and pollution research international 20100501
Properties