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261380-20-5 | Benzenepropanoic acid, 4-bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
CAS No: 261380-20-5 Catalog No: AG002RUC MDL No:MFCD01320860
Product Description
Catalog Number:
AG002RUC
Chemical Name:
Benzenepropanoic acid, 4-bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
CAS Number:
261380-20-5
Molecular Formula:
C14H18BrNO4
Molecular Weight:
344.2010
MDL Number:
MFCD01320860
IUPAC Name:
(3R)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key:
ZAMLGGRVTAXBHI-LLVKDONJSA-N
SMILES:
OC(=O)C[C@H](c1ccc(cc1)Br)NC(=O)OC(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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