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Home > Bromides > 1222175-21-4
1222175-21-4 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-bromo-, ethyl ester
CAS No: 1222175-21-4 Catalog No: AG0016YD MDL No:MFCD17676839
Product Description
Catalog Number:
AG0016YD
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-bromo-, ethyl ester
CAS Number:
1222175-21-4
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
MDL Number:
MFCD17676839
IUPAC Name:
ethyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-4-6-3-7(11)5-12-9(6)13-8/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
BDFZWTJIAHZKMB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ncc(c2)Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.098g/mol
Monoisotopic Mass:
267.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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