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1260804-62-3 | Bicyclo[3.1.0]hexane-3-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-6,6-difluoro-, methyl ester
CAS No: 1260804-62-3 Catalog No: AG000RC7 MDL No:
Product Description
Catalog Number:
AG000RC7
Chemical Name:
Bicyclo[3.1.0]hexane-3-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-6,6-difluoro-, methyl ester
CAS Number:
1260804-62-3
Molecular Formula:
C13H19F2NO4
Molecular Weight:
291.2911
IUPAC Name:
methyl 6,6-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-3-carboxylate
InChI:
InChI=1S/C13H19F2NO4/c1-11(2,3)20-10(18)16-12(9(17)19-4)5-7-8(6-12)13(7,14)15/h7-8H,5-6H2,1-4H3,(H,16,18)
InChI Key:
YUWYOYSWMWBJCP-UHFFFAOYSA-N
SMILES:
COC(=O)C1(NC(=O)OC(C)(C)C)CC2C(C1)C2(F)F
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.295g/mol
Monoisotopic Mass:
291.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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