Home Halogens 5-(chloromethyl)-5H,6H,7H-pyrrolo[1,2-b][1,2,4]triazole hydrochloride

5-(chloromethyl)-5H,6H,7H-pyrrolo[1,2-b][1,2,4]triazole hydrochloride

CAS No.:
2059937-81-2
Catalog Number:
AG01C055
Molecular Formula:
C6H9Cl2N3
Molecular Weight:
194.0618
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Product Description
Catalog Number:
AG01C055
Chemical Name:
5-(chloromethyl)-5H,6H,7H-pyrrolo[1,2-b][1,2,4]triazole hydrochloride
CAS Number:
2059937-81-2
Molecular Formula:
C6H9Cl2N3
Molecular Weight:
194.0618
MDL Number:
MFCD30497825
IUPAC Name:
5-(chloromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;hydrochloride
InChI:
InChI=1S/C6H8ClN3.ClH/c7-3-5-1-2-6-8-4-9-10(5)6;/h4-5H,1-3H2;1H
InChI Key:
QNNSUDOBSDXUEO-UHFFFAOYSA-N
SMILES:
ClCC1CCc2n1ncn2.Cl
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.017g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.059g/mol
Monoisotopic Mass:
193.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties