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Home > Bromides > 1622993-11-6
1622993-11-6 | [1,2,4]Triazolo[1,5-a]pyridine-7-carboxylic acid, 2-bromo-, methyl ester
CAS No: 1622993-11-6 Catalog No: AG001SYU MDL No:MFCD28501956
Product Description
Catalog Number:
AG001SYU
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyridine-7-carboxylic acid, 2-bromo-, methyl ester
CAS Number:
1622993-11-6
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD28501956
IUPAC Name:
methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12/h2-4H,1H3
InChI Key:
IDVMYYPMNGQJLC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccn2c(c1)nc(n2)Br
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:
1.6
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