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85043-41-0 | 1H-Tetrazole, 1-octyl-
CAS No: 85043-41-0 Catalog No: AG004SMW MDL No:
Product Description
Catalog Number:
AG004SMW
Chemical Name:
1H-Tetrazole, 1-octyl-
CAS Number:
85043-41-0
Molecular Formula:
C9H18N4
Molecular Weight:
182.2660
IUPAC Name:
1-octyltetrazole
InChI:
InChI=1S/C9H18N4/c1-2-3-4-5-6-7-8-13-9-10-11-12-13/h9H,2-8H2,1H3
InChI Key:
LIADNJWRJNOJEO-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1cnnn1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.153g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.271g/mol
Monoisotopic Mass:
182.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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