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Home > Fluorides > 1138445-29-0
1138445-29-0 | Benzene, 1-(1,1-difluoroethyl)-2-(trifluoromethyl)-
CAS No: 1138445-29-0 Catalog No: AG0009VE MDL No:
Product Description
Catalog Number:
AG0009VE
Chemical Name:
Benzene, 1-(1,1-difluoroethyl)-2-(trifluoromethyl)-
CAS Number:
1138445-29-0
Molecular Formula:
C9H7F5
Molecular Weight:
210.1439
IUPAC Name:
1-(1,1-difluoroethyl)-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H7F5/c1-8(10,11)6-4-2-3-5-7(6)9(12,13)14/h2-5H,1H3
InChI Key:
BDNFFEDUKSTDLI-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1C(F)(F)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:
210.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.147g/mol
Monoisotopic Mass:
210.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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