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Home > Bromides > 1172085-67-4
1172085-67-4 | 1,2,4-Triazolo[4,3-a]pyridine, 5-bromo-
CAS No: 1172085-67-4 Catalog No: AG000DX7 MDL No:MFCD11043995
Product Description
Catalog Number:
AG000DX7
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 5-bromo-
CAS Number:
1172085-67-4
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
MDL Number:
MFCD11043995
IUPAC Name:
5-bromo-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C6H4BrN3/c7-5-2-1-3-6-9-8-4-10(5)6/h1-4H
InChI Key:
HKIWBYJVFCZPIW-UHFFFAOYSA-N
SMILES:
Brc1cccc2n1cnn2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.023g/mol
Monoisotopic Mass:
196.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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