Home Halogens 2-(5-chloropentyl)-5-phenyl-2H-1,2,3,4-tetrazole

2-(5-chloropentyl)-5-phenyl-2H-1,2,3,4-tetrazole

CAS No.:
1094667-82-9
Catalog Number:
AG01A9ZC
Molecular Formula:
C12H15ClN4
Molecular Weight:
250.7273
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Product Description
Catalog Number:
AG01A9ZC
Chemical Name:
2-(5-chloropentyl)-5-phenyl-2H-1,2,3,4-tetrazole
CAS Number:
1094667-82-9
Molecular Formula:
C12H15ClN4
Molecular Weight:
250.7273
MDL Number:
MFCD11645006
IUPAC Name:
2-(5-chloropentyl)-5-phenyltetrazole
InChI:
InChI=1S/C12H15ClN4/c13-9-5-2-6-10-17-15-12(14-16-17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChI Key:
KLTAEEQNYXRJGP-UHFFFAOYSA-N
SMILES:
ClCCCCCn1nnc(n1)c1ccccc1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.73g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties