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84708-94-1 | Bicyclo[2.2.1]heptan-2-one, 1-(iodomethyl)-7,7-dimethyl-, (1S,4R)-
CAS No: 84708-94-1 Catalog No: AG004Z79 MDL No:
Product Description
Catalog Number:
AG004Z79
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1-(iodomethyl)-7,7-dimethyl-, (1S,4R)-
CAS Number:
84708-94-1
Molecular Formula:
C10H15IO
Molecular Weight:
278.1300
IUPAC Name:
(1S,4R)-1-(iodomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H15IO/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h7H,3-6H2,1-2H3/t7-,10-/m1/s1
InChI Key:
KQYSDWDPNRZEJA-GMSGAONNSA-N
SMILES:
IC[C@]12CC[C@@H](C2(C)C)CC1=O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
278.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.133g/mol
Monoisotopic Mass:
278.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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