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7707-59-7 | 1H-Tetrazole,1-(2-iodocyclohexyl)-5-methyl-, trans- (8CI)
CAS No: 7707-59-7 Catalog No: AG005R9Z MDL No:
Product Description
Catalog Number:
AG005R9Z
Chemical Name:
1H-Tetrazole,1-(2-iodocyclohexyl)-5-methyl-, trans- (8CI)
CAS Number:
7707-59-7
Molecular Formula:
C8H13IN4
Molecular Weight:
292.1201
IUPAC Name:
1-(2-iodocyclohexyl)-5-methyltetrazole
InChI:
InChI=1S/C8H13IN4/c1-6-10-11-12-13(6)8-5-3-2-4-7(8)9/h7-8H,2-5H2,1H3
InChI Key:
COCIVPMROVAMHC-UHFFFAOYSA-N
SMILES:
IC1CCCCC1n1nnnc1C
NSC Number:
123064
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.124g/mol
Monoisotopic Mass:
292.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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