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4-chloro-2-({[(3,4,5-²H?)furan-2-yl](²H?)methyl}amino)-5-sulfamoylbenzoic acid

4-chloro-2-({[(3,4,5-²H?)furan-2-yl](²H?)methyl}amino)-5-sulfamoylbenzoic acid

CAS: 1189482-35-6

Formula: C12H11ClN2O5S

SMILES: [2H]C1=C([2H])C([2H])=C(O1)C([2H])([2H])NC1=C(C=C(C(Cl)=C1)S(N)(=O)=O)C(O)=O

IUPAC: 4-chloro-2-({[(3,4,5-²H?)furan-2-yl](²H?)methyl}amino)-5-sulfamoylbenzoic acid

InChI: InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)/i1D,2D,3D,6D2

Composition: C (42.93%), H (1.80%), [2H] (3.00%), Cl (10.56%), N (8.34%), O (23.82%), S (9.55%)

Molar Mass: 335.77

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 335.0391041
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey ZZUFCTLCJUWOSV-JZOBIDBQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.47
Topological Polar Surface Area 122.63
Polarizability 29.5
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
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CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1189482-35-6 $151.98-$1,196.46$151.98$1,196.46
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