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Home Amines 1025496-16-5
1025496-16-5,MFCD07388901
Catalog No.:AA0007LU
1025496-16-5 | Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4-difluoro-
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Technical Information
Catalog Number:
AA0007LU
Chemical Name:
Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4-difluoro-
CAS Number:
1025496-16-5
Molecular Formula:
C13H15F2NO4
Molecular Weight:
287.2593
MDL Number:
MFCD07388901
IUPAC Name:
2-(2,4-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)8-5-4-7(14)6-9(8)15/h4-6,10H,1-3H3,(H,16,19)(H,17,18)
InChI Key:
CVINMJDGSGBHTL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1ccc(cc1F)F)C(=O)O
Properties
Computed Properties
 
Complexity:
370  
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  

Synonyms
 
1025496-16-5 
2-((tert-butoxycarbonyl)amino)-2-(2,4-difluorophenyl)acetic acid 
2-{[(tert-butoxy)carbonyl]amino}-2-(2,4-difluorophenyl)acetic acid 
alpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,4-difluorobenzeneacetic acid 
Benzeneacetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4-difluoro- 
tert-Butoxycarbonylamino-(2,4-difluoro-phenyl)-acetic acid 
SCHEMBL3822263 
tert-butoxycarbonylamino-(2,4-difluorophenyl)acetic acid 
CTK7G9031 
CVINMJDGSGBHTL-UHFFFAOYSA-N 
AKOS013464345 
TRA0027343 
RT-000044 
Z2588063724 
Literature
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