Home Halogens 1H-Tetrazole,5-(chloromethyl)-1-(phenylmethyl)-

1H-Tetrazole,5-(chloromethyl)-1-(phenylmethyl)-

CAS No.:
73963-43-6
Catalog Number:
AG008PKT
Molecular Formula:
C9H9ClN4
Molecular Weight:
208.6476
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Product Description
Catalog Number:
AG008PKT
Chemical Name:
1H-Tetrazole,5-(chloromethyl)-1-(phenylmethyl)-
CAS Number:
73963-43-6
Molecular Formula:
C9H9ClN4
Molecular Weight:
208.6476
MDL Number:
MFCD08444350
IUPAC Name:
1-benzyl-5-(chloromethyl)tetrazole
InChI:
InChI=1S/C9H9ClN4/c10-6-9-11-12-13-14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
GAXBVDIQHTZHGF-UHFFFAOYSA-N
SMILES:
ClCc1nnnn1Cc1ccccc1
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:
1.6  
Properties