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(S) -beta- (3-chlorophenyl) alanine

CAT: 0024-sc-338555Size: 1 gDry Ice: NoHazardous: No
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CAS Number
774178-18-6

Chemical Information

(s)-3-Amino-3-(3-chlorophenyl)propanoic acid
CAS Number774178-18-6
PubChem CID737981
IUPAC Name(3S)-3-amino-3-(3-chlorophenyl)propanoic acid
Molecular FormulaC9H10ClNO2
Molecular Weight199.63
XLogP-1.3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
C1=CC(=CC(=C1)Cl)[C@H](CC(=O)O)N
InChI
InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey
LIDRHPCWOYOBIZ-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (s)-3-Amino-3-(3-chlorophenyl)propanoic acid
CAS: 774178-18-6
CID: 737981
Formula: C9H10ClNO2
MW: 199.63
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.63
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass199.0400063
Monoisotopic Mass199.0400063
Topological Polar Surface Area63.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
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

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CatalogName
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sc-338552(S) -beta- (2-chlorophenyl) alaninol

Alternative Products

CatalogName
291186-01-beta- (3-Thienyl) -L-alanine
GTR19252903-01Beta- (3-Pyridyl) -DL-alanine
291187-01-beta- (3-Thienyl) -D-alanine
422722-013- (3,5-Dimethylphenyl) -beta-alanine
TRC-A637322-100MGBeta-Alanine-2,2,3,3-D4
423545-013-[4- (Benzyloxy) -3-bromophenyl]-beta-alanine
JH919515(S) -3- (p-Methylphenyl) -beta-alanine
277362-01Fmoc-beta- (3-thienyl) -L-alanine
TRC-P319420-5G(S)-3-Phenyl-Beta-alanine Hydrochloride
abx180018-01(R)-3-(p-fluorophenyl)-beta-alanine

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