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3-[3-(2-chloroacetamido)phenyl]propanoic acid

3-[3-(2-chloroacetamido)phenyl]propanoic acid

CAS: 1221792-58-0

Formula: C11H12ClNO3

SMILES: OC(=O)CCC1=CC=CC(NC(=O)CCl)=C1

IUPAC: 3-[3-(2-chloroacetamido)phenyl]propanoic acid

InChI: InChI=1S/C11H12ClNO3/c12-7-10(14)13-9-3-1-2-8(6-9)4-5-11(15)16/h1-3,6H,4-5,7H2,(H,13,14)(H,15,16)

Composition: C (54.67%), H (5.01%), Cl (14.67%), N (5.80%), O (19.86%)

Molar Mass: 241.67

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.050571
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RPOMZMMDPSBKLY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.58
Topological Polar Surface Area 66.4
Polarizability 23.14
Ring Count 1
Rotatable Bond Count 5

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95% <2 Days 1221792-58-0 $51.35-$359.43$51.35$63.37$86.31$225.06$359.43
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