1-bromo-3-methanesulfinylbenzene

1-bromo-3-methanesulfinylbenzene

CAS: 29959-92-0

Formula: C7H7BrOS

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

IUPAC: 1-bromo-3-methanesulfinylbenzene

InChI: InChI=1/C7H7BrOS/c1-10(9)7-4-2-3-6(8)5-7/h2-5H,1H3

Composition: C (38.37%), H (3.22%), Br (36.47%), O (7.30%), S (14.63%)

Molar Mass: 219.1

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	217.940099
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	FAGYVSVOUYMGTM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.04
Topological Polar Surface Area	17.07
Polarizability	18.58
Ring Count	1
Rotatable Bond Count	1

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