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1000340-11-3 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-bromo-6-methyl-
CAS No: 1000340-11-3 Catalog No: AG0000D9 MDL No:MFCD09880100
Product Description
Catalog Number:
AG0000D9
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-bromo-6-methyl-
CAS Number:
1000340-11-3
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD09880100
IUPAC Name:
5-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H7BrN2O2/c1-4-7(10)2-5-6(9(13)14)3-11-8(5)12-4/h2-3H,1H3,(H,11,12)(H,13,14)
InChI Key:
KLCKTBOCUFDKEF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cc(Br)c(n2)C
Properties
Complexity:
249
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:
2
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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