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

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

CAS No.:
1700118-39-3
Catalog Number:
AG01BCWO
Molecular Formula:
C6H9ClN4
Molecular Weight:
172.6155
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Product Description
Catalog Number:
AG01BCWO
Chemical Name:
5-(1-chloroethyl)-1-cyclopropyl-1H-1,2,3,4-tetrazole
CAS Number:
1700118-39-3
Molecular Formula:
C6H9ClN4
Molecular Weight:
172.6155
IUPAC Name:
5-(1-chloroethyl)-1-cyclopropyltetrazole
InChI:
InChI=1S/C6H9ClN4/c1-4(7)6-8-9-10-11(6)5-2-3-5/h4-5H,2-3H2,1H3
InChI Key:
DDBQECGXKYFQCZ-UHFFFAOYSA-N
SMILES:
CC(c1nnnn1C1CC1)Cl
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.616g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties