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40648-08-6 | 1-IODO-2-METHYLCYCLOHEXENE
CAS No: 40648-08-6 Catalog No: AG00769O MDL No:
Product Description
Catalog Number:
AG00769O
Chemical Name:
1-IODO-2-METHYLCYCLOHEXENE
CAS Number:
40648-08-6
Molecular Formula:
C7H11I
Molecular Weight:
222.0667
IUPAC Name:
1-iodo-2-methylcyclohexene
InChI:
InChI=1S/C7H11I/c1-6-4-2-3-5-7(6)8/h2-5H2,1H3
InChI Key:
YPYNZJFLYQQPLF-UHFFFAOYSA-N
SMILES:
CC1=C(I)CCCC1
Properties
Complexity:
114
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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