Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-2-(2,6-difluorophenyl)acetic acid

2-{[(tert-butoxy)carbonyl]amino}-2-(2,6-difluorophenyl)acetic acid

CAS No.:
1344688-07-8
Catalog Number:
AG01AN3F
Molecular Formula:
C13H15F2NO4
Molecular Weight:
287.2593
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Product Description
Catalog Number:
AG01AN3F
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-(2,6-difluorophenyl)acetic acid
CAS Number:
1344688-07-8
Molecular Formula:
C13H15F2NO4
Molecular Weight:
287.2593
MDL Number:
MFCD20441234
IUPAC Name:
2-(2,6-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C13H15F2NO4/c1-13(2,3)20-12(19)16-10(11(17)18)9-7(14)5-4-6-8(9)15/h4-6,10H,1-3H3,(H,16,19)(H,17,18)
InChI Key:
FGWVGQFFGFJLGC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1c(F)cccc1F)C(=O)O
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.097g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
287.263g/mol
Monoisotopic Mass:
287.097g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties