2-bromo-3-methanesulfonylpyridine

2-bromo-3-methanesulfonylpyridine

CAS: 1209459-11-9

Formula: C6H6BrNO2S

SMILES: CS(=O)(=O)C1=C(Br)N=CC=C1

IUPAC: 2-bromo-3-methanesulfonylpyridine

InChI: InChI=1S/C6H6BrNO2S/c1-11(9,10)5-3-2-4-8-6(5)7/h2-4H,1H3

Composition: C (30.53%), H (2.56%), Br (33.85%), N (5.93%), O (13.55%), S (13.58%)

Molar Mass: 236.08

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.930263
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YECQWWGIRPFYBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.37
Topological Polar Surface Area	47.03
Polarizability	18.47
Ring Count	1
Rotatable Bond Count	1

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