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88220-20-6 | Benzaldehyde, 2-(naphtho[1,2-b]thien-2-ylmethyl)-
CAS No: 88220-20-6 Catalog No: AG004BOX MDL No:
Product Description
Catalog Number:
AG004BOX
Chemical Name:
Benzaldehyde, 2-(naphtho[1,2-b]thien-2-ylmethyl)-
CAS Number:
88220-20-6
Molecular Formula:
C20H14OS
Molecular Weight:
302.3896
IUPAC Name:
2-(benzo[g][1]benzothiol-2-ylmethyl)benzaldehyde
InChI:
InChI=1S/C20H14OS/c21-13-17-7-2-1-6-15(17)11-18-12-16-10-9-14-5-3-4-8-19(14)20(16)22-18/h1-10,12-13H,11H2
InChI Key:
RTCRSVKNNQSDSV-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1Cc1cc2c(s1)c1ccccc1cc2
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:
5.6
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