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886364-20-1 | 2-(4-Bromobenzyl)-3-((tert-butoxycarbonyl)amino)propanoic acid
CAS No: 886364-20-1 Catalog No: AG0049LR MDL No:
Product Description
Catalog Number:
AG0049LR
Chemical Name:
2-(4-Bromobenzyl)-3-((tert-butoxycarbonyl)amino)propanoic acid
CAS Number:
886364-20-1
Molecular Formula:
C15H20BrNO4
Molecular Weight:
358.2276
IUPAC Name:
2-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H20BrNO4/c1-15(2,3)21-14(20)17-9-11(13(18)19)8-10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:
RWFDAYQTXHFBKT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(C(=O)O)Cc1ccc(cc1)Br
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.058g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.232g/mol
Monoisotopic Mass:
357.058g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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