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1818847-33-4 | 2H-Pyrrolo[2,3-b]pyridin-2-one, 4-chloro-1,3-dihydro-3-methyl-
CAS No: 1818847-33-4 Catalog No: AG002365 MDL No:
Product Description
Catalog Number:
AG002365
Chemical Name:
2H-Pyrrolo[2,3-b]pyridin-2-one, 4-chloro-1,3-dihydro-3-methyl-
CAS Number:
1818847-33-4
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
IUPAC Name:
4-chloro-3-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
InChI:
InChI=1S/C8H7ClN2O/c1-4-6-5(9)2-3-10-7(6)11-8(4)12/h2-4H,1H3,(H,10,11,12)
InChI Key:
CEYIBCMTNLIYPN-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1C)c(Cl)ccn2
Properties
Complexity:
209
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:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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