4-bromo-2-fluoro-1-methanesulfonylbenzene

4-bromo-2-fluoro-1-methanesulfonylbenzene

CAS: 648904-84-1

Formula: C7H6BrFO2S

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

IUPAC: 4-bromo-2-fluoro-1-methanesulfonylbenzene

InChI: InChI=1S/C7H6BrFO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,1H3

Composition: C (33.22%), H (2.39%), Br (31.57%), F (7.51%), O (12.64%), S (12.67%)

Molar Mass: 253.09

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.925592
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ISSNNKYYINPTHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.9
Topological Polar Surface Area	34.14
Polarizability	19.08
Ring Count	1
Rotatable Bond Count	1

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