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2-[N-(5-chloro-2-methylphenyl)methanesulfonamido]propanoic acid

2-[N-(5-chloro-2-methylphenyl)methanesulfonamido]propanoic acid

Formula: C11H14ClNO4S

SMILES: CC(N(C1=CC(Cl)=CC=C1C)S(C)(=O)=O)C(O)=O

IUPAC: 2-[N-(5-chloro-2-methylphenyl)methanesulfonamido]propanoic acid

InChI: InChI=1/C11H14ClNO4S/c1-7-4-5-9(12)6-10(7)13(18(3,16)17)8(2)11(14)15/h4-6,8H,1-3H3,(H,14,15)

Composition: C (45.29%), H (4.84%), Cl (12.15%), N (4.80%), O (21.94%), S (10.99%)

Molar Mass: 291.75

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 291.0332068
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VVZWHMKNTJFJDJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.06
Topological Polar Surface Area 74.68
Polarizability 27.27
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H14ClNO4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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