Home Carbonyls (4-Bromophenyl)[(tert-butoxycarbonyl)amino]acetic acid

(4-Bromophenyl)[(tert-butoxycarbonyl)amino]acetic acid

CAS No.:
917925-71-4
Catalog Number:
AG003EZL
Molecular Formula:
C13H16BrNO4
Molecular Weight:
330.1744
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Purity
Availability
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Price(USD)
Quantity
  
1g
>97%
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United States
$297
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Product Description
Catalog Number:
AG003EZL
Chemical Name:
(4-Bromophenyl)[(tert-butoxycarbonyl)amino]acetic acid
CAS Number:
917925-71-4
Molecular Formula:
C13H16BrNO4
Molecular Weight:
330.1744
MDL Number:
MFCD04115515
IUPAC Name:
2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C13H16BrNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChI Key:
HFPMULXPVQWEJG-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)Br)NC(=O)OC(C)(C)C
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.026g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
330.178g/mol
Monoisotopic Mass:
329.026g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties