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135634-19-4 | 7-(IODOMETHYL)-BICYCLO[4.2.0]OCTA-1,3,5-TRIENE
CAS No: 135634-19-4 Catalog No: AG006YHC MDL No:
Product Description
Catalog Number:
AG006YHC
Chemical Name:
7-(IODOMETHYL)-BICYCLO[4.2.0]OCTA-1,3,5-TRIENE
CAS Number:
135634-19-4
Molecular Formula:
C9H9I
Molecular Weight:
244.0722
IUPAC Name:
7-(iodomethyl)bicyclo[4.2.0]octa-1,3,5-triene
InChI:
InChI=1S/C9H9I/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6H2
InChI Key:
MGIXHHGPONMWMN-UHFFFAOYSA-N
SMILES:
ICC1Cc2c1cccc2
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.075g/mol
Monoisotopic Mass:
243.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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