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1190313-30-4 | 1H-Pyrrolo[2,3-b]pyridine, 3-chloro-5-methoxy-4-methyl-
CAS No: 1190313-30-4 Catalog No: AG000HK0 MDL No:
Product Description
Catalog Number:
AG000HK0
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-chloro-5-methoxy-4-methyl-
CAS Number:
1190313-30-4
Molecular Formula:
C9H9ClN2O
Molecular Weight:
196.6336
IUPAC Name:
3-chloro-5-methoxy-4-methyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C9H9ClN2O/c1-5-7(13-2)4-12-9-8(5)6(10)3-11-9/h3-4H,1-2H3,(H,11,12)
InChI Key:
OCFIUPCGFBUSKL-UHFFFAOYSA-N
SMILES:
Cc1c(OC)cnc2c1c(Cl)c[nH]2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.634g/mol
Monoisotopic Mass:
196.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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