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Home > Bromides > 1190312-99-2
1190312-99-2 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-bromo-4-methyl-, methyl ester
CAS No: 1190312-99-2 Catalog No: AG000HKI MDL No:
Product Description
Catalog Number:
AG000HKI
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-bromo-4-methyl-, methyl ester
CAS Number:
1190312-99-2
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
IUPAC Name:
methyl 6-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-5-6-3-4-12-9(6)13-8(11)7(5)10(14)15-2/h3-4H,1-2H3,(H,12,13)
InChI Key:
LJWCPIZPUBZCKB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1C)c(Br)c[nH]2
Properties
Complexity:
262
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:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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