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3-chloro-2-acetamidobenzoic acid

3-chloro-2-acetamidobenzoic acid

CAS: 7703-29-9

Formula: C9H8ClNO3

SMILES: CC(=O)NC1=C(C=CC=C1Cl)C(O)=O

IUPAC: 3-chloro-2-acetamidobenzoic acid

InChI: InChI=1S/C9H8ClNO3/c1-5(12)11-8-6(9(13)14)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)

Composition: C (50.60%), H (3.77%), Cl (16.60%), N (6.56%), O (22.47%)

Molar Mass: 213.62

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.0192708
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey DAUJGXGQAQZDOW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.98
Topological Polar Surface Area 66.4
Polarizability 19.53
Ring Count 1
Rotatable Bond Count 2

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95% <5 Days 7703-29-9 $1,460.00-$2,060.00$1,460.00$2,060.00
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