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Home > Bromides > 1234616-05-7
1234616-05-7 | 1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid, 6-bromo-, ethyl ester
CAS No: 1234616-05-7 Catalog No: AG000KMW MDL No:MFCD17016031
Product Description
Catalog Number:
AG000KMW
Chemical Name:
1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid, 6-bromo-, ethyl ester
CAS Number:
1234616-05-7
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
MDL Number:
MFCD17016031
IUPAC Name:
ethyl 6-bromo-1H-pyrazolo[4,3-b]pyridine-3-carboxylate
InChI:
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)8-7-6(12-13-8)3-5(10)4-11-7/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
XQXVIARYOPRUQD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c2c1ncc(c2)Br
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:
1
Isotope Atom Count:
0
Molecular Weight:
270.086g/mol
Monoisotopic Mass:
268.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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