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Home > Fluorides > 138947-57-6
138947-57-6 | 3H-Naphtho[2,1-b]pyran, 3-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-
CAS No: 138947-57-6 Catalog No: AG0019VT MDL No:
Product Description
Catalog Number:
AG0019VT
Chemical Name:
3H-Naphtho[2,1-b]pyran, 3-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-
CAS Number:
138947-57-6
Molecular Formula:
C26H18F2O2
Molecular Weight:
400.4167
IUPAC Name:
3-(2,6-difluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
InChI:
InChI=1S/C26H18F2O2/c1-29-19-12-10-18(11-13-19)26(25-22(27)7-4-8-23(25)28)16-15-21-20-6-3-2-5-17(20)9-14-24(21)30-26/h2-16H,1H3
InChI Key:
APTGXKIWKJDBMU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(C=Cc2c(O1)ccc1c2cccc1)c1c(F)cccc1F
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.127g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.425g/mol
Monoisotopic Mass:
400.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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