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123004-74-0 | Butanoic acid, 4-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (2R)-
CAS No: 123004-74-0 Catalog No: AG000JYC MDL No:
Product Description
Catalog Number:
AG000JYC
Chemical Name:
Butanoic acid, 4-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
123004-74-0
Molecular Formula:
C13H24BrNO4
Molecular Weight:
338.2380
IUPAC Name:
tert-butyl (2R)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI:
InChI=1S/C13H24BrNO4/c1-12(2,3)18-10(16)9(7-8-14)15-11(17)19-13(4,5)6/h9H,7-8H2,1-6H3,(H,15,17)/t9-/m1/s1
InChI Key:
KAHXNHVFTFWYDP-SECBINFHSA-N
SMILES:
BrCC[C@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.242g/mol
Monoisotopic Mass:
337.089g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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