Home Halogens (2S)-3-(3,5-Dichlorophenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid

(2S)-3-(3,5-Dichlorophenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid

CAS No.:
1051934-98-5
Catalog Number:
AG00HALH
Molecular Formula:
C14H17Cl2NO4
Molecular Weight:
334.1951
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Product Description
Catalog Number:
AG00HALH
Chemical Name:
(2S)-3-(3,5-Dichlorophenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid
CAS Number:
1051934-98-5
Molecular Formula:
C14H17Cl2NO4
Molecular Weight:
334.1951
MDL Number:
MFCD07372033
IUPAC Name:
(2S)-3-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI Key:
VKAOZRGFKAVEKA-NSHDSACASA-N
SMILES:
OC(=O)[C@H](Cc1cc(Cl)cc(c1)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
333.053g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
334.193g/mol
Monoisotopic Mass:
333.053g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties