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3-amino-3-(2,3,5-trichlorophenyl)propanoic acid

3-amino-3-(2,3,5-trichlorophenyl)propanoic acid

CAS: 682804-30-4

Formula: C9H8Cl3NO2

SMILES: NC(CC(O)=O)C1=C(Cl)C(Cl)=CC(Cl)=C1

IUPAC: 3-amino-3-(2,3,5-trichlorophenyl)propanoic acid

InChI: InChI=1/C9H8Cl3NO2/c10-4-1-5(7(13)3-8(14)15)9(12)6(11)2-4/h1-2,7H,3,13H2,(H,14,15)

Composition: C (40.26%), H (3.00%), Cl (39.61%), N (5.22%), O (11.92%)

Molar Mass: 268.52

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 266.9620616
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QYINQBIHVNQKRL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.4
Topological Polar Surface Area 63.32
Polarizability 23.7
Ring Count 1
Rotatable Bond Count 3

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