2-[(benzenesulfonyl)methyl]benzaldehyde

2-[(benzenesulfonyl)methyl]benzaldehyde

CAS: 468751-38-4

Formula: C14H12O3S

SMILES: O=CC1=CC=CC=C1CS(=O)(=O)C1=CC=CC=C1

IUPAC: 2-[(benzenesulfonyl)methyl]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

Composition: C (64.60%), H (4.65%), O (18.44%), S (12.32%)

Molar Mass: 260.31

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	260.05071542
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KDTVRUZABJBZKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.18
Topological Polar Surface Area	51.21
Polarizability	27.79
Ring Count	2
Rotatable Bond Count	4

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