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88220-32-0 | Benzaldehyde, 2-(naphtho[2,3-b]thien-2-ylmethyl)-
CAS No: 88220-32-0 Catalog No: AG008BA5 MDL No:
Product Description
Catalog Number:
AG008BA5
Chemical Name:
Benzaldehyde, 2-(naphtho[2,3-b]thien-2-ylmethyl)-
CAS Number:
88220-32-0
Molecular Formula:
C20H14OS
Molecular Weight:
302.3896
IUPAC Name:
2-(benzo[f][1]benzothiol-2-ylmethyl)benzaldehyde
InChI:
InChI=1S/C20H14OS/c21-13-17-8-4-3-6-15(17)10-19-11-18-9-14-5-1-2-7-16(14)12-20(18)22-19/h1-9,11-13H,10H2
InChI Key:
XVOUSBVORUVHLH-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1Cc1cc2c(s1)cc1c(c2)cccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.391g/mol
Monoisotopic Mass:
302.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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