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Home Halogens 1-(chloromethyl)-2,5-difluoro-4-(trifluoromethyl)benzene

1-(chloromethyl)-2,5-difluoro-4-(trifluoromethyl)benzene

CAS No.:
1803585-20-7
Catalog Number:
AG01B8LM
Molecular Formula:
C8H4ClF5
Molecular Weight:
230.5624
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Product Description
Catalog Number:
AG01B8LM
Chemical Name:
1-(chloromethyl)-2,5-difluoro-4-(trifluoromethyl)benzene
CAS Number:
1803585-20-7
Molecular Formula:
C8H4ClF5
Molecular Weight:
230.5624
MDL Number:
MFCD28505680
IUPAC Name:
1-(chloromethyl)-2,5-difluoro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H4ClF5/c9-3-4-1-7(11)5(2-6(4)10)8(12,13)14/h1-2H,3H2
InChI Key:
IJQSHVIPDFBCDF-UHFFFAOYSA-N
SMILES:
ClCc1cc(F)c(cc1F)C(F)(F)F
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.992g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.562g/mol
Monoisotopic Mass:
229.992g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties