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89894-77-9 | 1-iodo-3-methylcyclohexane
CAS No: 89894-77-9 Catalog No: AG01C2X0 MDL No:MFCD20414829
Product Description
Catalog Number:
AG01C2X0
Chemical Name:
1-iodo-3-methylcyclohexane
CAS Number:
89894-77-9
Molecular Formula:
C7H13I
Molecular Weight:
224.0826
MDL Number:
MFCD20414829
IUPAC Name:
1-iodo-3-methylcyclohexane
InChI:
InChI=1S/C7H13I/c1-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3
InChI Key:
ZQUIJUNLTMQRAA-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1)I
Properties
Complexity:
70.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.006g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.085g/mol
Monoisotopic Mass:
224.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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