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31053-85-7 | Cyclohexene, 1-iodo-4-methyl-
CAS No: 31053-85-7 Catalog No: AG00320J MDL No:
Product Description
Catalog Number:
AG00320J
Chemical Name:
Cyclohexene, 1-iodo-4-methyl-
CAS Number:
31053-85-7
Molecular Formula:
C7H11I
Molecular Weight:
222.0667
IUPAC Name:
1-iodo-4-methylcyclohexene
InChI:
InChI=1S/C7H11I/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5H2,1H3
InChI Key:
QHNQNBLJZFTYJF-UHFFFAOYSA-N
SMILES:
CC1CCC(=CC1)I
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.991g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.069g/mol
Monoisotopic Mass:
221.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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