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Home > Bromides > 1788054-72-7
1788054-72-7 | 1H-Pyrrolo[3,2-c]pyridine-6-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester, hydrobromide (1:1)
CAS No: 1788054-72-7 Catalog No: AG0026D8 MDL No:MFCD28502506
Product Description
Catalog Number:
AG0026D8
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-6-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester, hydrobromide (1:1)
CAS Number:
1788054-72-7
Molecular Formula:
C9H9BrN2O3
Molecular Weight:
273.0834
MDL Number:
MFCD28502506
IUPAC Name:
methyl 2-oxo-1,3-dihydropyrrolo[3,2-c]pyridine-6-carboxylate;hydrobromide
InChI:
InChI=1S/C9H8N2O3.BrH/c1-14-9(13)7-3-6-5(4-10-7)2-8(12)11-6;/h3-4H,2H2,1H3,(H,11,12);1H
InChI Key:
ATCGDKXNIMBJOY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc2c(c1)NC(=O)C2.Br
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.086g/mol
Monoisotopic Mass:
271.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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