Home Halogens Boc-(s)-3-amino-3-(2-bromo-phenyl)-propionic acid

Boc-(s)-3-amino-3-(2-bromo-phenyl)-propionic acid

CAS No.:
500770-75-2
Catalog Number:
AG00D89B
Molecular Formula:
C14H18BrNO4
Molecular Weight:
344.2010
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 97% (HPLC)
1 week
United States
$118
- +
1g
≥ 97% (HPLC)
1 week
United States
$192
- +
5g
≥ 97% (HPLC)
1 week
United States
$659
- +
Product Description
Catalog Number:
AG00D89B
Chemical Name:
Boc-(s)-3-amino-3-(2-bromo-phenyl)-propionic acid
CAS Number:
500770-75-2
Molecular Formula:
C14H18BrNO4
Molecular Weight:
344.2010
MDL Number:
MFCD03427923
IUPAC Name:
(3S)-3-(2-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)9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key:
JLEZYQLFLYPMMA-NSHDSACASA-N
SMILES:
OC(=O)C[C@@H](c1ccccc1Br)NC(=O)OC(C)(C)C
Properties
Complexity:
354  
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  
Properties