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2007916-11-0 | 6,7-Dihydro-5H-Pyrrolo[1,2-A]Imidazol-7-Yl Tert-Butylcarbamate
CAS No: 2007916-11-0 Catalog No: AG01EFNK MDL No:MFCD30472123
Product Description
Catalog Number:
AG01EFNK
Chemical Name:
6,7-Dihydro-5H-Pyrrolo[1,2-A]Imidazol-7-Yl Tert-Butylcarbamate
CAS Number:
2007916-11-0
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
MDL Number:
MFCD30472123
IUPAC Name:
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-tert-butylcarbamate
InChI:
InChI=1S/C11H17N3O2/c1-11(2,3)13-10(15)16-8-4-6-14-7-5-12-9(8)14/h5,7-8H,4,6H2,1-3H3,(H,13,15)
InChI Key:
BBDVWGBOCRFMKY-UHFFFAOYSA-N
SMILES:
O=C(NC(C)(C)C)OC1CCn2c1ncc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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