Home Other Building Blocks 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine

3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine

CAS No.:
261763-07-9
Catalog Number:
AG002S1N
Molecular Formula:
C8H6ClF4N
Molecular Weight:
227.5866
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$263
- +
5g
95%
1 week
United States
$714
- +
Product Description
Catalog Number:
AG002S1N
Chemical Name:
3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine
CAS Number:
261763-07-9
Molecular Formula:
C8H6ClF4N
Molecular Weight:
227.5866
MDL Number:
MFCD01631401
IUPAC Name:
[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H6ClF4N/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-2H,3,14H2
InChI Key:
IMINUBYBSZMWRS-UHFFFAOYSA-N
SMILES:
NCc1cc(cc(c1F)Cl)C(F)(F)F
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.587g/mol
Monoisotopic Mass:
227.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties