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3-(chlorosulfonyl)-4-methoxybenzoic acid

3-(chlorosulfonyl)-4-methoxybenzoic acid

CAS: 50803-29-7

Formula: C8H7ClO5S

SMILES: COC1=CC=C(C=C1S(Cl)(=O)=O)C(O)=O

IUPAC: 3-(chlorosulfonyl)-4-methoxybenzoic acid

InChI: InChI=1S/C8H7ClO5S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)

Composition: C (38.34%), H (2.82%), Cl (14.14%), O (31.92%), S (12.79%)

Molar Mass: 250.65

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.9702722
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey OWBBPHXIAFVUMO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.97
Topological Polar Surface Area 80.67
Polarizability 21.44
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 50803-29-7 $60.53-$138.71$60.53$138.71
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