Free Chemical Databases
-
[Synonyms]
Oprea1_473276
573361_ALDRICH
NSC45727
3-Amino-3-(2-chlorophenyl)propionic acid
ST5136837
68208-20-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 199.6342 [g/mol] Molecular Formula C9H10ClNO2 XLogP 1.4 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 3 Exact Mass 199.040006 MonoIsotopic Mass 199.040006 Topological Polar Surface Area 63.3 Heavy Atom Count 13 Formal Charge 0 Complexity 187 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-amino-3-(2-chlorophenyl)propanoic acid
Canonical SMILES: C1=CC=C(C(=C1)C(CC(=O)O)N)Cl
InChI: InChI=1/C9H10ClNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,
12,13)/f/h12H
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