3-fluoro-4-methanesulfonylbenzaldehyde

3-fluoro-4-methanesulfonylbenzaldehyde

CAS: 254878-95-0

Formula: C8H7FO3S

SMILES: CS(=O)(=O)C1=C(F)C=C(C=O)C=C1

IUPAC: 3-fluoro-4-methanesulfonylbenzaldehyde

InChI: InChI=1S/C8H7FO3S/c1-13(11,12)8-3-2-6(5-10)4-7(8)9/h2-5H,1H3

Composition: C (47.52%), H (3.49%), F (9.40%), O (23.74%), S (15.86%)

Molar Mass: 202.2

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.009993422
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ATFKDQOGYYWXIY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.86
Topological Polar Surface Area	51.21
Polarizability	18
Ring Count	1
Rotatable Bond Count	2

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