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94771-39-8 | Azulene, 4-(iodomethyl)-
CAS No: 94771-39-8 Catalog No: AG006SBF MDL No:
Product Description
Catalog Number:
AG006SBF
Chemical Name:
Azulene, 4-(iodomethyl)-
CAS Number:
94771-39-8
Molecular Formula:
C11H9I
Molecular Weight:
268.0936
IUPAC Name:
4-(iodomethyl)azulene
InChI:
InChI=1S/C11H9I/c12-8-10-5-2-1-4-9-6-3-7-11(9)10/h1-7H,8H2
InChI Key:
FGSKQLOAIUDGNE-UHFFFAOYSA-N
SMILES:
ICc1ccccc2c1ccc2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.097g/mol
Monoisotopic Mass:
267.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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