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Home > Bromides > 1801262-20-3
1801262-20-3 | [1,2,4]Triazolo[1,5-a]pyridine-8-carboxylic acid, 6-bromo-, methyl ester
CAS No: 1801262-20-3 Catalog No: AG0021OX MDL No:
Product Description
Catalog Number:
AG0021OX
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyridine-8-carboxylic acid, 6-bromo-, methyl ester
CAS Number:
1801262-20-3
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
IUPAC Name:
methyl 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-8(13)6-2-5(9)3-12-7(6)10-4-11-12/h2-4H,1H3
InChI Key:
GXZZFQIVHPQZIL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cn2c1ncn2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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