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23579-79-5 | 1H-1,2,4-Triazole, 3,5-dibromo-1-methyl-
CAS No: 23579-79-5 Catalog No: AG002NQY MDL No:MFCD09426402
Product Description
Catalog Number:
AG002NQY
Chemical Name:
1H-1,2,4-Triazole, 3,5-dibromo-1-methyl-
CAS Number:
23579-79-5
Molecular Formula:
C3H3Br2N3
Molecular Weight:
240.8840
MDL Number:
MFCD09426402
IUPAC Name:
3,5-dibromo-1-methyl-1,2,4-triazole
InChI:
InChI=1S/C3H3Br2N3/c1-8-3(5)6-2(4)7-8/h1H3
InChI Key:
OAPQSGTTZLYWJB-UHFFFAOYSA-N
SMILES:
Brc1nc(n(n1)C)Br
Properties
Complexity:
88.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.867g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.886g/mol
Monoisotopic Mass:
238.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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