Home Carboxys 2-[(tert-butoxy)carbonyl]-7,7-difluoro-2-azabicyclo[4.1.0]heptane-3-carboxylic acid, Mixture of diastereomers

2-[(tert-butoxy)carbonyl]-7,7-difluoro-2-azabicyclo[4.1.0]heptane-3-carboxylic acid, Mixture of diastereomers

CAS No.:
2137514-43-1
Catalog Number:
AG01EKTW
Molecular Formula:
C12H17F2NO4
Molecular Weight:
277.2645
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Product Description
Catalog Number:
AG01EKTW
Chemical Name:
2-[(tert-butoxy)carbonyl]-7,7-difluoro-2-azabicyclo[4.1.0]heptane-3-carboxylic acid, Mixture of diastereomers
CAS Number:
2137514-43-1
Molecular Formula:
C12H17F2NO4
Molecular Weight:
277.2645
MDL Number:
MFCD31615485
IUPAC Name:
7,7-difluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[4.1.0]heptane-3-carboxylic acid
InChI:
InChI=1S/C12H17F2NO4/c1-11(2,3)19-10(18)15-7(9(16)17)5-4-6-8(15)12(6,13)14/h6-8H,4-5H2,1-3H3,(H,16,17)
InChI Key:
IVJFSOOUUQXLOS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC2C(N1C(=O)OC(C)(C)C)C2(F)F
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.113g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.268g/mol
Monoisotopic Mass:
277.113g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties