Home Halogens 2-(Boc-amino)-2-(3,4-dichlorophenyl)acetic acid

2-(Boc-amino)-2-(3,4-dichlorophenyl)acetic acid

CAS No.:
142121-95-7
Catalog Number:
AG001HTH
Molecular Formula:
C13H15Cl2NO4
Molecular Weight:
320.1685
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Product Description
Catalog Number:
AG001HTH
Chemical Name:
2-(Boc-amino)-2-(3,4-dichlorophenyl)acetic acid
CAS Number:
142121-95-7
Molecular Formula:
C13H15Cl2NO4
Molecular Weight:
320.1685
MDL Number:
MFCD03425232
IUPAC Name:
2-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C13H15Cl2NO4/c1-13(2,3)20-12(19)16-10(11(17)18)7-4-5-8(14)9(15)6-7/h4-6,10H,1-3H3,(H,16,19)(H,17,18)
InChI Key:
UMIXQOHZODWWEI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1ccc(c(c1)Cl)Cl)C(=O)O
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.038g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
320.166g/mol
Monoisotopic Mass:
319.038g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties