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2-(butane-1-sulfonyl)benzoic acid

2-(butane-1-sulfonyl)benzoic acid

CAS: 57076-15-0

Formula: C11H14O4S

SMILES: CCCCS(=O)(=O)C1=C(C=CC=C1)C(O)=O

IUPAC: 2-(butane-1-sulfonyl)benzoic acid

InChI: InChI=1S/C11H14O4S/c1-2-3-8-16(14,15)10-7-5-4-6-9(10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)

Composition: C (54.53%), H (5.82%), O (26.41%), S (13.23%)

Molar Mass: 242.29

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 242.061280105
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RHHIBSFKGKUZBX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.11
Topological Polar Surface Area 71.44
Polarizability 24.2
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 57076-15-0 $202.14$202.14
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