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Home > Bromides > 1255098-82-8
1255098-82-8 | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 5-bromo-, ethyl ester
CAS No: 1255098-82-8 Catalog No: AG000NRS MDL No:MFCD17926298
Product Description
Catalog Number:
AG000NRS
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 5-bromo-, ethyl ester
CAS Number:
1255098-82-8
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
MDL Number:
MFCD17926298
IUPAC Name:
ethyl 5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-5-7-6(12-8)3-4-9(11)13-7/h3-5,12H,2H2,1H3
InChI Key:
BDJZZKVOBJHYTD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ccc(n2)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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