Home Halogens 1H-Tetrazole,5-(chloromethyl)-1-phenyl-(9CI)

1H-Tetrazole,5-(chloromethyl)-1-phenyl-(9CI)

CAS No.:
64473-40-1
Catalog Number:
AG00EDSJ
Molecular Formula:
C8H7ClN4
Molecular Weight:
194.6210
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Product Description
Catalog Number:
AG00EDSJ
Chemical Name:
1H-Tetrazole,5-(chloromethyl)-1-phenyl-(9CI)
CAS Number:
64473-40-1
Molecular Formula:
C8H7ClN4
Molecular Weight:
194.6210
MDL Number:
MFCD03854522
IUPAC Name:
5-(chloromethyl)-1-phenyltetrazole
InChI:
InChI=1S/C8H7ClN4/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
KASHDYDHJFKPQK-UHFFFAOYSA-N
SMILES:
ClCc1nnnn1c1ccccc1
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.036g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.622g/mol
Monoisotopic Mass:
194.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties