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190771-58-5 | 7H-Pyrrolo[2,3-d]pyrimidine-5-ethanol, 4-chloro-7-methyl-, 5-acetate
CAS No: 190771-58-5 Catalog No: AG002ESQ MDL No:
Product Description
Catalog Number:
AG002ESQ
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-ethanol, 4-chloro-7-methyl-, 5-acetate
CAS Number:
190771-58-5
Molecular Formula:
C11H12ClN3O2
Molecular Weight:
253.6849
IUPAC Name:
2-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)ethyl acetate
InChI:
InChI=1S/C11H12ClN3O2/c1-7(16)17-4-3-8-5-15(2)11-9(8)10(12)13-6-14-11/h5-6H,3-4H2,1-2H3
InChI Key:
DCYYXKGWONGQOS-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1cn(c2c1c(Cl)ncn2)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.686g/mol
Monoisotopic Mass:
253.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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