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Home > Bromides > 1190318-72-9
1190318-72-9 | 1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-bromo-, methyl ester
CAS No: 1190318-72-9 Catalog No: AG000P5B MDL No:
Product Description
Catalog Number:
AG000P5B
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-bromo-, methyl ester
CAS Number:
1190318-72-9
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
IUPAC Name:
methyl 3-bromo-1H-pyrrolo[3,2-b]pyridine-5-carboxylate
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)7-3-2-6-8(12-7)5(10)4-11-6/h2-4,11H,1H3
InChI Key:
SWSMFBGGCLRYOC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(n1)c(Br)c[nH]2
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:
1.9
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