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189640-40-2 | 2H-Tetrazole, 5-[4-chloro-1-(3-chloro-3-methylbutyl)-4-methylpentyl]-
CAS No: 189640-40-2 Catalog No: AG002DUN MDL No:
Product Description
Catalog Number:
AG002DUN
Chemical Name:
2H-Tetrazole, 5-[4-chloro-1-(3-chloro-3-methylbutyl)-4-methylpentyl]-
CAS Number:
189640-40-2
Molecular Formula:
C12H22Cl2N4
Molecular Weight:
293.2359
IUPAC Name:
5-(2,8-dichloro-2,8-dimethylnonan-5-yl)-2H-tetrazole
InChI:
InChI=1S/C12H22Cl2N4/c1-11(2,13)7-5-9(6-8-12(3,4)14)10-15-17-18-16-10/h9H,5-8H2,1-4H3,(H,15,16,17,18)
InChI Key:
BZLXJTHNQHNNIA-UHFFFAOYSA-N
SMILES:
CC(CCC(c1n[nH]nn1)CCC(Cl)(C)C)(Cl)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.236g/mol
Monoisotopic Mass:
292.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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