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149743-83-9 | 3H-Naphtho[2,1-b]pyran, 3,3-bis[3-(trifluoromethyl)phenyl]-
CAS No: 149743-83-9 Catalog No: AG001M00 MDL No:
Product Description
Catalog Number:
AG001M00
Chemical Name:
3H-Naphtho[2,1-b]pyran, 3,3-bis[3-(trifluoromethyl)phenyl]-
CAS Number:
149743-83-9
Molecular Formula:
C27H16F6O
Molecular Weight:
470.4058
IUPAC Name:
3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
InChI:
InChI=1S/C27H16F6O/c28-26(29,30)20-8-3-6-18(15-20)25(19-7-4-9-21(16-19)27(31,32)33)14-13-23-22-10-2-1-5-17(22)11-12-24(23)34-25/h1-16H
InChI Key:
WUIAGTJYSCPKMJ-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)C1(C=Cc2c(O1)ccc1c2cccc1)c1cccc(c1)C(F)(F)F)(F)F
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.111g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.414g/mol
Monoisotopic Mass:
470.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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