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122948-86-1 | 1H-1,2,4-Triazole, 1-boryl-
CAS No: 122948-86-1 Catalog No: AG000JT2 MDL No:
Product Description
Catalog Number:
AG000JT2
Chemical Name:
1H-1,2,4-Triazole, 1-boryl-
CAS Number:
122948-86-1
Molecular Formula:
C2H4BN3
Molecular Weight:
80.8843
IUPAC Name:
1,2,4-triazol-1-ylboron
InChI:
InChI=1S/C2H2BN3/c3-6-2-4-1-5-6/h1-2H
InChI Key:
YJDPECROWPTMDB-UHFFFAOYSA-N
SMILES:
Bn1cncn1
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
79.034g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
78.869g/mol
Monoisotopic Mass:
79.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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