Home Halogens 3-chloro-N-(2,2-difluoroethyl)aniline

3-chloro-N-(2,2-difluoroethyl)aniline

CAS No.:
331-54-4
Catalog Number:
AG019Z0D
Molecular Formula:
C8H8ClF2N
Molecular Weight:
191.6056
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Product Description
Catalog Number:
AG019Z0D
Chemical Name:
3-chloro-N-(2,2-difluoroethyl)aniline
CAS Number:
331-54-4
Molecular Formula:
C8H8ClF2N
Molecular Weight:
191.6056
MDL Number:
MFCD01670064
IUPAC Name:
3-chloro-N-(2,2-difluoroethyl)aniline
InChI:
InChI=1S/C8H8ClF2N/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8,12H,5H2
InChI Key:
QSLIBRQKKASYQF-UHFFFAOYSA-N
SMILES:
FC(CNc1cccc(c1)Cl)F
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.606g/mol
Monoisotopic Mass:
191.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties