Home Carbonyls 2-(tert-Butoxycarbonylamino)-3-(2,6-difluorophenyl)propanoic acid

2-(tert-Butoxycarbonylamino)-3-(2,6-difluorophenyl)propanoic acid

CAS No.:
851047-82-0
Catalog Number:
AG004OJ1
Molecular Formula:
C14H17F2NO4
Molecular Weight:
301.2859
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$437
- +
Product Description
Catalog Number:
AG004OJ1
Chemical Name:
2-(tert-Butoxycarbonylamino)-3-(2,6-difluorophenyl)propanoic acid
CAS Number:
851047-82-0
Molecular Formula:
C14H17F2NO4
Molecular Weight:
301.2859
MDL Number:
MFCD17170968
IUPAC Name:
3-(2,6-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-9(15)5-4-6-10(8)16/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:
JQRFXXIFWMNGAG-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1c(F)cccc1F)NC(=O)OC(C)(C)C
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.113g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
301.29g/mol
Monoisotopic Mass:
301.113g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties