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1219200-16-4 | Alanine, 3-bromo-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS No: 1219200-16-4 Catalog No: AG0016EY MDL No:MFCD09261317
Product Description
Catalog Number:
AG0016EY
Chemical Name:
Alanine, 3-bromo-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS Number:
1219200-16-4
Molecular Formula:
C9H16BrNO4
Molecular Weight:
282.1316
MDL Number:
MFCD09261317
IUPAC Name:
methyl 3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C9H16BrNO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)
InChI Key:
ODLDPRMMKCMNMD-UHFFFAOYSA-N
SMILES:
BrC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.134g/mol
Monoisotopic Mass:
281.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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