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3-(diethylsulfamoyl)benzoic acid

3-(diethylsulfamoyl)benzoic acid

CAS: 1576-46-1

Formula: C11H15NO4S

SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(O)=O

IUPAC: 3-(diethylsulfamoyl)benzoic acid

InChI: InChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)

Composition: C (51.35%), H (5.88%), N (5.44%), O (24.87%), S (12.46%)

Molar Mass: 257.3

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.072179141
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BIXIGFOEUQAXDL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.76
Topological Polar Surface Area 74.68
Polarizability 25.35
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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Ships Within
Days
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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1576-46-1 $218.50-$952.20$218.50$572.70$952.20
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