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Home > Fluorides > 177551-64-3
177551-64-3 | 1,3-Benzodioxole, 2,2-difluoro-5-phenyl-
CAS No: 177551-64-3 Catalog No: AG0025DV MDL No:
Product Description
Catalog Number:
AG0025DV
Chemical Name:
1,3-Benzodioxole, 2,2-difluoro-5-phenyl-
CAS Number:
177551-64-3
Molecular Formula:
C13H8F2O2
Molecular Weight:
234.1982
IUPAC Name:
2,2-difluoro-5-phenyl-1,3-benzodioxole
InChI:
InChI=1S/C13H8F2O2/c14-13(15)16-11-7-6-10(8-12(11)17-13)9-4-2-1-3-5-9/h1-8H
InChI Key:
ZNEFBGJJNFZLIY-UHFFFAOYSA-N
SMILES:
FC1(F)Oc2c(O1)cc(cc2)c1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.202g/mol
Monoisotopic Mass:
234.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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