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173459-03-5 | 7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-6-(4-Methoxyphenyl)-
CAS No: 173459-03-5 Catalog No: AG001YXA MDL No:
Product Description
Catalog Number:
AG001YXA
Chemical Name:
7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-6-(4-Methoxyphenyl)-
CAS Number:
173459-03-5
Molecular Formula:
C13H10ClN3O
Molecular Weight:
259.6910
IUPAC Name:
4-chloro-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C13H10ClN3O/c1-18-9-4-2-8(3-5-9)11-6-10-12(14)15-7-16-13(10)17-11/h2-7H,1H3,(H,15,16,17)
InChI Key:
UUGVARUTGQCQHQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc2c([nH]1)ncnc2Cl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.693g/mol
Monoisotopic Mass:
259.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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