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

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

CAS No.:
186958-71-4
Catalog Number:
AG01B1QA
Molecular Formula:
C4H7ClN4
Molecular Weight:
146.5782
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Product Description
Catalog Number:
AG01B1QA
Chemical Name:
5-(1-chloroethyl)-1-methyl-1H-1,2,3,4-tetrazole
CAS Number:
186958-71-4
Molecular Formula:
C4H7ClN4
Molecular Weight:
146.5782
IUPAC Name:
5-(1-chloroethyl)-1-methyltetrazole
InChI:
InChI=1S/C4H7ClN4/c1-3(5)4-6-7-8-9(4)2/h3H,1-2H3
InChI Key:
CWEHTQHLQKTEKX-UHFFFAOYSA-N
SMILES:
CC(c1nnnn1C)Cl
Properties
Complexity:
98.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.036g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.578g/mol
Monoisotopic Mass:
146.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties