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479064-93-2 | (R)-3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid
CAS No: 479064-93-2 Catalog No: AG003CAV MDL No:MFCD03427960
Product Description
Catalog Number:
AG003CAV
Chemical Name:
(R)-3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid
CAS Number:
479064-93-2
Molecular Formula:
C14H18ClNO4
Molecular Weight:
299.7500
MDL Number:
MFCD03427960
IUPAC Name:
(3R)-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-/m1/s1
InChI Key:
ZPXVKCUGZBGIBW-LLVKDONJSA-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
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