200,000+ products from a single source!
sales@angenechem.com
201231-55-2 | 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-difluoro-4-oxo-, (1S,2R,5R)-
CAS No: 201231-55-2 Catalog No: AG002DA5 MDL No:
Product Description
Catalog Number:
AG002DA5
Chemical Name:
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-difluoro-4-oxo-, (1S,2R,5R)-
CAS Number:
201231-55-2
Molecular Formula:
C6H5F2NO3
Molecular Weight:
177.1056
IUPAC Name:
(1S,2R,5R)-6,6-difluoro-4-oxo-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
InChI:
InChI=1S/C6H5F2NO3/c7-6(8)1-2(6)4(10)9-3(1)5(11)12/h1-3H,(H,9,10)(H,11,12)/t1-,2+,3+/m0/s1
InChI Key:
NZPUZCGQCYAGLV-ZVHKOUPVSA-N
SMILES:
OC(=O)[C@@H]1NC(=O)[C@H]2[C@@H]1C2(F)F
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
177.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.107g/mol
Monoisotopic Mass:
177.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.