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1190317-59-9 | 1H-Pyrrolo[2,3-b]pyridine, 3-chloro-5-methoxy-
CAS No: 1190317-59-9 Catalog No: AG000HRB MDL No:MFCD12962877
Product Description
Catalog Number:
AG000HRB
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-chloro-5-methoxy-
CAS Number:
1190317-59-9
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
MDL Number:
MFCD12962877
IUPAC Name:
3-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H7ClN2O/c1-12-5-2-6-7(9)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)
InChI Key:
MAGONTNNEFIQIE-UHFFFAOYSA-N
SMILES:
COc1cc2c(Cl)c[nH]c2nc1
Properties
Complexity:
167
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:
1
Isotope Atom Count:
0
Molecular Weight:
182.607g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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