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1152134-45-6 | Cyclopropanecarboxylic acid, 2-(difluoromethyl)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2R)-
CAS No: 1152134-45-6 Catalog No: AG000GFW MDL No:
Product Description
Catalog Number:
AG000GFW
Chemical Name:
Cyclopropanecarboxylic acid, 2-(difluoromethyl)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2R)-
CAS Number:
1152134-45-6
Molecular Formula:
C10H15F2NO4
Molecular Weight:
251.2272
IUPAC Name:
(1R)-2-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-10(7(14)15)4-5(10)6(11)12/h5-6H,4H2,1-3H3,(H,13,16)(H,14,15)/t5?,10-/m1/s1
InChI Key:
UKVZRUUKVSWZCP-URYLQHRCSA-N
SMILES:
FC([C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)O)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.23g/mol
Monoisotopic Mass:
251.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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