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468751-38-4 | 2-((Phenylsulfonyl)methyl)benzaldehyde
CAS No: 468751-38-4 Catalog No: AG003F42 MDL No:MFCD06797157
Product Description
Catalog Number:
AG003F42
Chemical Name:
2-((Phenylsulfonyl)methyl)benzaldehyde
CAS Number:
468751-38-4
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
MDL Number:
MFCD06797157
IUPAC Name:
2-(benzenesulfonylmethyl)benzaldehyde
InChI:
InChI=1S/C14H12O3S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-10H,11H2
InChI Key:
KDTVRUZABJBZKA-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1CS(=O)(=O)c1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.307g/mol
Monoisotopic Mass:
260.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Double elimination protocol for synthesis of 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctene. | Chemistry (Weinheim an der Bergstrasse, Germany) 20020503 |
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