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114078-88-5 | 1,2,3-Triazine, 5-bromo-
CAS No: 114078-88-5 Catalog No: AG000AIF MDL No:MFCD13193660
Product Description
Catalog Number:
AG000AIF
Chemical Name:
1,2,3-Triazine, 5-bromo-
CAS Number:
114078-88-5
Molecular Formula:
C3H2BrN3
Molecular Weight:
159.9721
MDL Number:
MFCD13193660
IUPAC Name:
5-bromotriazine
InChI:
InChI=1S/C3H2BrN3/c4-3-1-5-7-6-2-3/h1-2H
InChI Key:
LSBKXRBABHPHBW-UHFFFAOYSA-N
SMILES:
Brc1cnnnc1
Properties
Complexity:
52.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.943g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.974g/mol
Monoisotopic Mass:
158.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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