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62679-61-2 | 4,4-Difluoro-1-phenyl-1,3-butanedione
CAS No: 62679-61-2 Catalog No: AG003KF4 MDL No:MFCD02181201
Product Description
Catalog Number:
AG003KF4
Chemical Name:
4,4-Difluoro-1-phenyl-1,3-butanedione
CAS Number:
62679-61-2
Molecular Formula:
C10H8F2O2
Molecular Weight:
198.1661
MDL Number:
MFCD02181201
IUPAC Name:
4,4-difluoro-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C10H8F2O2/c11-10(12)9(14)6-8(13)7-4-2-1-3-5-7/h1-5,10H,6H2
InChI Key:
JTIPWONXTZMDOK-UHFFFAOYSA-N
SMILES:
FC(C(=O)CC(=O)c1ccccc1)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.169g/mol
Monoisotopic Mass:
198.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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