methyl 3-fluoro-4-methanesulfonylbenzoate

methyl 3-fluoro-4-methanesulfonylbenzoate

CAS: 1215074-49-9

Formula: C9H9FO4S

SMILES: COC(=O)C1=CC=C(C(F)=C1)S(C)(=O)=O

IUPAC: methyl 3-fluoro-4-methanesulfonylbenzoate

InChI: InChI=1S/C9H9FO4S/c1-14-9(11)6-3-4-8(7(10)5-6)15(2,12)13/h3-5H,1-2H3

Composition: C (46.55%), H (3.91%), F (8.18%), O (27.56%), S (13.81%)

Molar Mass: 232.23

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.020558107
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ACDGZYOVJKPTRE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.3
Topological Polar Surface Area	60.44
Polarizability	20.57
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1215074-49-9		$132.48-$405.72$132.48$405.72

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	1215074-49-9		$203.55-$554.30$203.55$554.30