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

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

CAS No.:
1181457-82-8
Catalog Number:
AG019VA2
Molecular Formula:
C9H9ClN4
Molecular Weight:
208.6476
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Product Description
Catalog Number:
AG019VA2
Chemical Name:
5-(2-chloroethyl)-1-phenyl-1H-1,2,3,4-tetrazole
CAS Number:
1181457-82-8
Molecular Formula:
C9H9ClN4
Molecular Weight:
208.6476
MDL Number:
MFCD12197089
IUPAC Name:
5-(2-chloroethyl)-1-phenyltetrazole
InChI:
InChI=1S/C9H9ClN4/c10-7-6-9-11-12-13-14(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
LQGMOBKRYYBVQB-UHFFFAOYSA-N
SMILES:
ClCCc1nnnn1c1ccccc1
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.052g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.649g/mol
Monoisotopic Mass:
208.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties