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119372-71-3

119372-71-3 | 4H-Pyran-4-one, 3,3-difluoro-2,3-dihydro-2-phenyl-

CAS No: 119372-71-3 Catalog No: AG000IOI MDL No:

Product Description

Catalog Number:
AG000IOI
Chemical Name:
4H-Pyran-4-one, 3,3-difluoro-2,3-dihydro-2-phenyl-
CAS Number:
119372-71-3
Molecular Formula:
C11H8F2O2
Molecular Weight:
210.1768
IUPAC Name:
3,3-difluoro-2-phenyl-2H-pyran-4-one
InChI:
InChI=1S/C11H8F2O2/c12-11(13)9(14)6-7-15-10(11)8-4-2-1-3-5-8/h1-7,10H
InChI Key:
SWCZAVSLGLXHBH-UHFFFAOYSA-N
SMILES:
O=C1C=COC(C1(F)F)c1ccccc1

Properties

Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.18g/mol
Monoisotopic Mass:
210.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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