Home Halogens 2-(4-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

2-(4-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

CAS No.:
888970-79-4
Catalog Number:
AG01AM15
Molecular Formula:
C14H18BrNO4
Molecular Weight:
344.2010
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Product Description
Catalog Number:
AG01AM15
Chemical Name:
2-(4-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CAS Number:
888970-79-4
Molecular Formula:
C14H18BrNO4
Molecular Weight:
344.2010
MDL Number:
MFCD07388954
IUPAC Name:
2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18BrNO4/c1-13(2,3)20-12(19)16-14(4,11(17)18)9-5-7-10(15)8-6-9/h5-8H,1-4H3,(H,16,19)(H,17,18)
InChI Key:
KXDMYNYXKAUFFF-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)Br)(NC(=O)OC(C)(C)C)C
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.042g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
344.205g/mol
Monoisotopic Mass:
343.042g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties