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76893-33-9 | 3-Iodomethyl-(1-oxy-2,2,5,5-tetramethylpyrroline)
CAS No: 76893-33-9 Catalog No: AG00587H MDL No:
Product Description
Catalog Number:
AG00587H
Chemical Name:
3-Iodomethyl-(1-oxy-2,2,5,5-tetramethylpyrroline)
CAS Number:
76893-33-9
Molecular Formula:
C25H28D3F2IO5S
Molecular Weight:
611.4954
IUPAC Name:
1-hydroxy-3-(iodomethyl)-2,2,5,5-tetramethylpyrrole
InChI:
InChI=1S/C9H16INO/c1-8(2)5-7(6-10)9(3,4)11(8)12/h5,12H,6H2,1-4H3
InChI Key:
DGWYHBRLTUNLLF-UHFFFAOYSA-N
SMILES:
ICSC(=O)[C@@]1(OC(=O)CC([2H])([2H])[2H])[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.137g/mol
Monoisotopic Mass:
281.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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