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Home > Fluorides > 179990-93-3
179990-93-3 | Ethanone, 1-[4-(difluoromethyl)phenyl]-
CAS No: 179990-93-3 Catalog No: AG0021K9 MDL No:MFCD11042622
Product Description
Catalog Number:
AG0021K9
Chemical Name:
Ethanone, 1-[4-(difluoromethyl)phenyl]-
CAS Number:
179990-93-3
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
MDL Number:
MFCD11042622
IUPAC Name:
1-[4-(difluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H8F2O/c1-6(12)7-2-4-8(5-3-7)9(10)11/h2-5,9H,1H3
InChI Key:
XSVXRIZSFVAIRI-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C(=O)C)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.159g/mol
Monoisotopic Mass:
170.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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