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2-(thiophene-3-amido)benzoic acid

2-(thiophene-3-amido)benzoic acid

Formula: C12H9NO3S

SMILES: OC(=O)C1=CC=CC=C1NC(=O)C1=CSC=C1

IUPAC: 2-(thiophene-3-amido)benzoic acid

InChI: InChI=1S/C12H9NO3S/c14-11(8-5-6-17-7-8)13-10-4-2-1-3-9(10)12(15)16/h1-7H,(H,13,14)(H,15,16)

Composition: C (58.29%), H (3.67%), N (5.66%), O (19.41%), S (12.97%)

Molar Mass: 247.27

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 247.030314328
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JVNPVDJFOUFLKM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.95
Topological Polar Surface Area 66.4
Polarizability 23.98
Ring Count 2
Rotatable Bond Count 3

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C12H9NO3S Quote Only