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1190313-06-4 | 1H-Pyrrolo[2,3-b]pyridin-5-ol, 3-chloro-4-methyl-
CAS No: 1190313-06-4 Catalog No: AG000HKE MDL No:
Product Description
Catalog Number:
AG000HKE
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-5-ol, 3-chloro-4-methyl-
CAS Number:
1190313-06-4
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
IUPAC Name:
3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
InChI:
InChI=1S/C8H7ClN2O/c1-4-6(12)3-11-8-7(4)5(9)2-10-8/h2-3,12H,1H3,(H,10,11)
InChI Key:
LNIHHBMYONXQJW-UHFFFAOYSA-N
SMILES:
Oc1cnc2c(c1C)c(Cl)c[nH]2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.607g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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