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84804-69-3 | 5-(Chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole
CAS No: 84804-69-3 Catalog No: AG004QXS MDL No:MFCD13806380
Product Description
Catalog Number:
AG004QXS
Chemical Name:
5-(Chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole
CAS Number:
84804-69-3
Molecular Formula:
C5H8ClN3
Molecular Weight:
145.5901
MDL Number:
MFCD13806380
IUPAC Name:
5-(chloromethyl)-1,3-dimethyl-1,2,4-triazole
InChI:
InChI=1S/C5H8ClN3/c1-4-7-5(3-6)9(2)8-4/h3H2,1-2H3
InChI Key:
PDVSHBCOEGYRQB-UHFFFAOYSA-N
SMILES:
Cn1nc(nc1CCl)C
Properties
Complexity:
98.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.041g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.59g/mol
Monoisotopic Mass:
145.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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