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Home > Fluorides > 951885-29-3
951885-29-3 | 3,4-Difluoro-3',4'-(ethylenedioxy)benzophenone
CAS No: 951885-29-3 Catalog No: AG01EZN5 MDL No:
Product Description
Catalog Number:
AG01EZN5
Chemical Name:
3,4-Difluoro-3',4'-(ethylenedioxy)benzophenone
CAS Number:
951885-29-3
Molecular Formula:
C15H10F2O3
Molecular Weight:
276.2349
IUPAC Name:
(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
InChI:
InChI=1S/C15H10F2O3/c16-11-3-1-9(7-12(11)17)15(18)10-2-4-13-14(8-10)20-6-5-19-13/h1-4,7-8H,5-6H2
InChI Key:
PJYBYDHLKYXKQD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)F)c1ccc2c(c1)OCCO2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.239g/mol
Monoisotopic Mass:
276.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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