Home Other Building Blocks 10,13-difluoro-2,8-dioxa-5-azatricyclo[7.4.0.0,3,7]trideca-1(9),10,12-triene hydrochloride, cis

10,13-difluoro-2,8-dioxa-5-azatricyclo[7.4.0.0,3,7]trideca-1(9),10,12-triene hydrochloride, cis

CAS No.:
1909293-71-5
Catalog Number:
AG01C470
Molecular Formula:
C10H10ClF2NO2
Molecular Weight:
249.6417
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Product Description
Catalog Number:
AG01C470
Chemical Name:
10,13-difluoro-2,8-dioxa-5-azatricyclo[7.4.0.0,3,7]trideca-1(9),10,12-triene hydrochloride, cis
CAS Number:
1909293-71-5
Molecular Formula:
C10H10ClF2NO2
Molecular Weight:
249.6417
IUPAC Name:
(3aR,9aR)-5,8-difluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole;hydrochloride
InChI:
InChI=1S/C10H9F2NO2.ClH/c11-5-1-2-6(12)10-9(5)14-7-3-13-4-8(7)15-10;/h1-2,7-8,13H,3-4H2;1H/t7-,8-;/m1./s1
InChI Key:
MMGILNORYCIRPT-SCLLHFNJSA-N
SMILES:
Fc1ccc(c2c1O[C@@H]1CNC[C@@H]1O2)F.Cl
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
249.037g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.642g/mol
Monoisotopic Mass:
249.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties