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1234616-35-3 | 6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-5,7-dihydro-7-methyl-
CAS No: 1234616-35-3 Catalog No: AG000KMA MDL No:MFCD17016004
Product Description
Catalog Number:
AG000KMA
Chemical Name:
6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-5,7-dihydro-7-methyl-
CAS Number:
1234616-35-3
Molecular Formula:
C7H6ClN3O
Molecular Weight:
183.5950
MDL Number:
MFCD17016004
IUPAC Name:
4-chloro-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
InChI:
InChI=1S/C7H6ClN3O/c1-11-5(12)2-4-6(8)9-3-10-7(4)11/h3H,2H2,1H3
InChI Key:
JQIYVPLKHMHJLP-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1C)ncnc2Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.595g/mol
Monoisotopic Mass:
183.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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