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Home > Fluorides > 1138445-47-2
1138445-47-2 | Benzene, 1-(1,1-difluoropropyl)-2-fluoro-
CAS No: 1138445-47-2 Catalog No: AG0009VC MDL No:MFCD11845838
Product Description
Catalog Number:
AG0009VC
Chemical Name:
Benzene, 1-(1,1-difluoropropyl)-2-fluoro-
CAS Number:
1138445-47-2
Molecular Formula:
C9H9F3
Molecular Weight:
174.1630
MDL Number:
MFCD11845838
IUPAC Name:
1-(1,1-difluoropropyl)-2-fluorobenzene
InChI:
InChI=1S/C9H9F3/c1-2-9(11,12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChI Key:
PQFQXDJYBCAPDB-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1F)(F)F
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.166g/mol
Monoisotopic Mass:
174.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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