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1196145-07-9 | Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-difluoro-
CAS No: 1196145-07-9 Catalog No: AG000P9Q MDL No:MFCD13189573
Product Description
Catalog Number:
AG000P9Q
Chemical Name:
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-difluoro-
CAS Number:
1196145-07-9
Molecular Formula:
C8H13F2NO4
Molecular Weight:
225.1899
MDL Number:
MFCD13189573
IUPAC Name:
2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C8H13F2NO4/c1-7(2,3)15-6(14)11-4-8(9,10)5(12)13/h4H2,1-3H3,(H,11,14)(H,12,13)
InChI Key:
ZGMUUJAHYZSWTF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(C(=O)O)(F)F
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.192g/mol
Monoisotopic Mass:
225.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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