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1000340-12-4 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-chloro-6-methyl-
CAS No: 1000340-12-4 Catalog No: AG0000D8 MDL No:
Product Description
Catalog Number:
AG0000D8
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-chloro-6-methyl-
CAS Number:
1000340-12-4
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
IUPAC Name:
5-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H7ClN2O2/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:
ZDYGNJMDCHFPMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cc(Cl)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:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/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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