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15777-58-9 | 1H-1,2,4-Triazole, 5-bromo-3-ethyl-
CAS No: 15777-58-9 Catalog No: AG001PPI MDL No:MFCD12827510
Product Description
Catalog Number:
AG001PPI
Chemical Name:
1H-1,2,4-Triazole, 5-bromo-3-ethyl-
CAS Number:
15777-58-9
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
MDL Number:
MFCD12827510
IUPAC Name:
3-bromo-5-ethyl-1H-1,2,4-triazole
InChI:
InChI=1S/C4H6BrN3/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H,6,7,8)
InChI Key:
RKNGIWHDLFYCGV-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c(n1)Br
Properties
Complexity:
77.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.975g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.017g/mol
Monoisotopic Mass:
174.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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