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919097-85-1 | 1H-Tetrazole, 5-iodo-1-[2-(1-methylethyl)cyclohexyl]-
CAS No: 919097-85-1 Catalog No: AG0068M6 MDL No:
Product Description
Catalog Number:
AG0068M6
Chemical Name:
1H-Tetrazole, 5-iodo-1-[2-(1-methylethyl)cyclohexyl]-
CAS Number:
919097-85-1
Molecular Formula:
C10H17IN4
Molecular Weight:
320.1732
IUPAC Name:
5-iodo-1-(2-propan-2-ylcyclohexyl)tetrazole
InChI:
InChI=1S/C10H17IN4/c1-7(2)8-5-3-4-6-9(8)15-10(11)12-13-14-15/h7-9H,3-6H2,1-2H3
InChI Key:
JDGXFIXVDPWAEY-UHFFFAOYSA-N
SMILES:
CC(C1CCCCC1n1nnnc1I)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.05g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.178g/mol
Monoisotopic Mass:
320.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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