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1190317-89-5 | 1H-Pyrrolo[2,3-b]pyridin-5-ol, 3-chloro-
CAS No: 1190317-89-5 Catalog No: AG000P54 MDL No:
Product Description
Catalog Number:
AG000P54
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-5-ol, 3-chloro-
CAS Number:
1190317-89-5
Molecular Formula:
C7H5ClN2O
Molecular Weight:
168.5804
IUPAC Name:
3-chloro-1H-pyrrolo[2,3-b]pyridin-5-ol
InChI:
InChI=1S/C7H5ClN2O/c8-6-3-10-7-5(6)1-4(11)2-9-7/h1-3,11H,(H,9,10)
InChI Key:
XHQUVCOANNCKER-UHFFFAOYSA-N
SMILES:
Oc1cnc2c(c1)c(Cl)c[nH]2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.58g/mol
Monoisotopic Mass:
168.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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