Home Halogens 3-(chloromethyl)-4,5-dicyclopropyl-4H-1,2,4-triazole hydrochloride

3-(chloromethyl)-4,5-dicyclopropyl-4H-1,2,4-triazole hydrochloride

CAS No.:
1461708-13-3
Catalog Number:
AG01A6BC
Molecular Formula:
C9H13Cl2N3
Molecular Weight:
234.1256
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Product Description
Catalog Number:
AG01A6BC
Chemical Name:
3-(chloromethyl)-4,5-dicyclopropyl-4H-1,2,4-triazole hydrochloride
CAS Number:
1461708-13-3
Molecular Formula:
C9H13Cl2N3
Molecular Weight:
234.1256
MDL Number:
MFCD25371781
IUPAC Name:
3-(chloromethyl)-4,5-dicyclopropyl-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C9H12ClN3.ClH/c10-5-8-11-12-9(6-1-2-6)13(8)7-3-4-7;/h6-7H,1-5H2;1H
InChI Key:
VOVWGAALLJULKR-UHFFFAOYSA-N
SMILES:
ClCc1nnc(n1C1CC1)C1CC1.Cl
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.124g/mol
Monoisotopic Mass:
233.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties