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1234616-83-1 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-bromo-, methyl ester
CAS No: 1234616-83-1 Catalog No: AG000KNS MDL No:MFCD17214374
Product Description
Catalog Number:
AG000KNS
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-bromo-, methyl ester
CAS Number:
1234616-83-1
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD17214374
IUPAC Name:
methyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)7-3-5-2-6(10)4-11-8(5)12-7/h2-4H,1H3,(H,11,12)
InChI Key:
PMCRRTVKYSKHJI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)ncc(c2)Br
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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