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2137822-75-2 | 1-(iodomethyl)-2-azabicyclo[2.2.1]heptan-3-one
CAS No: 2137822-75-2 Catalog No: AG01ELXB MDL No:MFCD31559364
Product Description
Catalog Number:
AG01ELXB
Chemical Name:
1-(iodomethyl)-2-azabicyclo[2.2.1]heptan-3-one
CAS Number:
2137822-75-2
Molecular Formula:
C7H10INO
Molecular Weight:
251.0649
MDL Number:
MFCD31559364
IUPAC Name:
1-(iodomethyl)-2-azabicyclo[2.2.1]heptan-3-one
InChI:
InChI=1S/C7H10INO/c8-4-7-2-1-5(3-7)6(10)9-7/h5H,1-4H2,(H,9,10)
InChI Key:
CGCQKESGPWBDIO-UHFFFAOYSA-N
SMILES:
ICC12CCC(C2)C(=O)N1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.067g/mol
Monoisotopic Mass:
250.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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