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5-chloro-4-acetamido-2-methoxybenzoic acid

5-chloro-4-acetamido-2-methoxybenzoic acid

Formula: C10H10ClNO4

SMILES: COC1=CC(NC(C)=O)=C(Cl)C=C1C(O)=O

IUPAC: 5-chloro-4-acetamido-2-methoxybenzoic acid

InChI: InChI=1S/C10H10ClNO4/c1-5(13)12-8-4-9(16-2)6(10(14)15)3-7(8)11/h3-4H,1-2H3,(H,12,13)(H,14,15)

Composition: C (49.30%), H (4.14%), Cl (14.55%), N (5.75%), O (26.27%)

Molar Mass: 243.64

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.0298355
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey GOXCIWMHHSVOKW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.45
Topological Polar Surface Area 75.63
Polarizability 22.08
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
97.65% <7 Days C10H10ClNO4 $99.11-$187.00$99.11$165.50$187.00
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98% <10 Days C10H10ClNO4 Quote Only
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