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113800-98-9 | 1,4-Pentadiene, 1,1-difluoro-
CAS No: 113800-98-9 Catalog No: AG0009Q0 MDL No:
Product Description
Catalog Number:
AG0009Q0
Chemical Name:
1,4-Pentadiene, 1,1-difluoro-
CAS Number:
113800-98-9
Molecular Formula:
C5H6F2
Molecular Weight:
104.0979
IUPAC Name:
1,1-difluoropenta-1,4-diene
InChI:
InChI=1S/C5H6F2/c1-2-3-4-5(6)7/h2,4H,1,3H2
InChI Key:
XONBTODSDBPGGG-UHFFFAOYSA-N
SMILES:
C=CCC=C(F)F
Properties
Complexity:
80.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.044g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.1g/mol
Monoisotopic Mass:
104.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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