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3-bromophenyl methanesulfonate

3-bromophenyl methanesulfonate

CAS: 219946-51-7

Formula: C7H7BrO3S

SMILES: CS(=O)(=O)OC1=CC(Br)=CC=C1

IUPAC: 3-bromophenyl methanesulfonate

InChI: InChI=1S/C7H7BrO3S/c1-12(9,10)11-7-4-2-3-6(8)5-7/h2-5H,1H3

Composition: C (33.48%), H (2.81%), Br (31.82%), O (19.12%), S (12.77%)

Molar Mass: 251.09

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.929928
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CWLRATSBFURPPP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.41
Topological Polar Surface Area 43.37
Polarizability 20
Ring Count 1
Rotatable Bond Count 2

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95% <5 Days 219946-51-7 $439.00-$2,530.00$439.00$1,700.00$2,530.00
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