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Home > Aldehydes > 939050-33-6
939050-33-6 | Benzaldehyde, 3-fluoro-4-[5-(phenylmethyl)-2-benzofuranyl]-
CAS No: 939050-33-6 Catalog No: AG01F6Z7 MDL No:
Product Description
Catalog Number:
AG01F6Z7
Chemical Name:
Benzaldehyde, 3-fluoro-4-[5-(phenylmethyl)-2-benzofuranyl]-
CAS Number:
939050-33-6
Molecular Formula:
C22H15FO2
Molecular Weight:
330.3517
IUPAC Name:
4-(5-benzyl-1-benzofuran-2-yl)-3-fluorobenzaldehyde
InChI:
InChI=1S/C22H15FO2/c23-20-12-17(14-24)6-8-19(20)22-13-18-11-16(7-9-21(18)25-22)10-15-4-2-1-3-5-15/h1-9,11-14H,10H2
InChI Key:
ZNHIJNTUGVMVFP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)c1cc2c(o1)ccc(c2)Cc1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.358g/mol
Monoisotopic Mass:
330.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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