Home Halogens tert-butyl 7,7-dichloro-2-oxa-5-azabicyclo[4.1.0]heptane-5-carboxylate

tert-butyl 7,7-dichloro-2-oxa-5-azabicyclo[4.1.0]heptane-5-carboxylate

CAS No.:
2138112-98-6
Catalog Number:
AG01EIRC
Molecular Formula:
C10H15Cl2NO3
Molecular Weight:
268.1370
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Product Description
Catalog Number:
AG01EIRC
Chemical Name:
tert-butyl 7,7-dichloro-2-oxa-5-azabicyclo[4.1.0]heptane-5-carboxylate
CAS Number:
2138112-98-6
Molecular Formula:
C10H15Cl2NO3
Molecular Weight:
268.1370
MDL Number:
MFCD31559259
IUPAC Name:
tert-butyl 7,7-dichloro-2-oxa-5-azabicyclo[4.1.0]heptane-5-carboxylate
InChI:
InChI=1S/C10H15Cl2NO3/c1-9(2,3)16-8(14)13-4-5-15-7-6(13)10(7,11)12/h6-7H,4-5H2,1-3H3
InChI Key:
JLWRJJDYEVBMPJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCOC2C1C2(Cl)Cl)OC(C)(C)C
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.043g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.134g/mol
Monoisotopic Mass:
267.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties