Home Halogens Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid

Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid

CAS No.:
479064-90-9
Catalog Number:
AG0037F8
Molecular Formula:
C14H18ClNO4
Molecular Weight:
299.7500
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$119
- +
5g
96%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG0037F8
Chemical Name:
Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid
CAS Number:
479064-90-9
Molecular Formula:
C14H18ClNO4
Molecular Weight:
299.7500
MDL Number:
MFCD03427922
IUPAC Name:
(3S)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key:
ZPXVKCUGZBGIBW-NSHDSACASA-N
SMILES:
OC(=O)C[C@@H](c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
299.092g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.751g/mol
Monoisotopic Mass:
299.092g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties