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5-bromo-2-methoxyphenyl benzenesulfonate

5-bromo-2-methoxyphenyl benzenesulfonate

CAS: 1150271-32-1

Formula: C13H11BrO4S

SMILES: COC1=CC=C(Br)C=C1OS(=O)(=O)C1=CC=CC=C1

IUPAC: 5-bromo-2-methoxyphenyl benzenesulfonate

InChI: InChI=1S/C13H11BrO4S/c1-17-12-8-7-10(14)9-13(12)18-19(15,16)11-5-3-2-4-6-11/h2-9H,1H3

Composition: C (45.50%), H (3.23%), Br (23.28%), O (18.65%), S (9.34%)

Molar Mass: 343.19

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 341.956143
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey DWQDOPMBPBNYNC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.03
Topological Polar Surface Area 52.6
Polarizability 30.11
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1150271-32-1 $246.10-$572.70$246.10$572.70
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