Home Carbonyls 3-(3-Bromo-phenyl)-2-tert-butoxycarbonylamino-3-hydroxy-propionic acid

3-(3-Bromo-phenyl)-2-tert-butoxycarbonylamino-3-hydroxy-propionic acid

CAS No.:
1009609-37-3
Catalog Number:
AG01F4WT
Molecular Formula:
C14H18BrNO5
Molecular Weight:
360.2004
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Product Description
Catalog Number:
AG01F4WT
Chemical Name:
3-(3-Bromo-phenyl)-2-tert-butoxycarbonylamino-3-hydroxy-propionic acid
CAS Number:
1009609-37-3
Molecular Formula:
C14H18BrNO5
Molecular Weight:
360.2004
IUPAC Name:
3-(3-bromophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18BrNO5/c1-14(2,3)21-13(20)16-10(12(18)19)11(17)8-5-4-6-9(15)7-8/h4-7,10-11,17H,1-3H3,(H,16,20)(H,18,19)
InChI Key:
JXUDCGNYTGZGJA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(c1cccc(c1)Br)O)C(=O)O
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.037g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
360.204g/mol
Monoisotopic Mass:
359.037g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties