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Home > Bromides > 1260840-42-3
1260840-42-3 | 1,2,4-Triazolo[4,3-a]pyridine-3-carboxylic acid, 6-bromo-, ethyl ester
CAS No: 1260840-42-3 Catalog No: AG000RFV MDL No:MFCD11975672
Product Description
Catalog Number:
AG000RFV
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine-3-carboxylic acid, 6-bromo-, ethyl ester
CAS Number:
1260840-42-3
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
MDL Number:
MFCD11975672
IUPAC Name:
ethyl 6-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
InChI:
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)8-12-11-7-4-3-6(10)5-13(7)8/h3-5H,2H2,1H3
InChI Key:
FGZXAJUJHNFESH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc2n1cc(Br)cc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.086g/mol
Monoisotopic Mass:
268.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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