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1823357-20-5 | 3-bromo-1-ethyl-5-methyl-1H-1,2,4-triazole
CAS No: 1823357-20-5 Catalog No: AG01EHP3 MDL No:MFCD26938740
Product Description
Catalog Number:
AG01EHP3
Chemical Name:
3-bromo-1-ethyl-5-methyl-1H-1,2,4-triazole
CAS Number:
1823357-20-5
Molecular Formula:
C5H8BrN3
Molecular Weight:
190.0411
MDL Number:
MFCD26938740
IUPAC Name:
3-bromo-1-ethyl-5-methyl-1,2,4-triazole
InChI:
InChI=1S/C5H8BrN3/c1-3-9-4(2)7-5(6)8-9/h3H2,1-2H3
InChI Key:
ZPZHZSALQRZLJF-UHFFFAOYSA-N
SMILES:
Cc1nc(nn1CC)Br
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:
188.99g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.044g/mol
Monoisotopic Mass:
188.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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