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(R) -3-Amino-3- (2,4-dichlorophenyl) propionic acid

CAT: 0024-sc-296214Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-296214Size:100 mg
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CAS Number
778571-53-2

Chemical Information

(R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid
CAS Number778571-53-2
PubChem CID706299
IUPAC Name(3R)-3-amino-3-(2,4-dichlorophenyl)propanoic acid
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08
XLogP-0.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity213
SMILES
C1=CC(=C(C=C1Cl)Cl)[C@@H](CC(=O)O)N
InChI
InChI=1S/C9H9Cl2NO2/c10-5-1-2-6(7(11)3-5)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1
InChIKey
QGHQDRDWQIHGKZ-MRVPVSSYSA-N
Chemical Structure
2D Structure
2D structure of (R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid
CAS: 778571-53-2
CID: 706299
Formula: C9H9Cl2NO2
MW: 234.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight234.08
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.0010339
Monoisotopic Mass233.0010339
Topological Polar Surface Area63.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes