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26035-90-5 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(2-furanylmethyl)-6-methyl-
CAS No: 26035-90-5 Catalog No: AG002RFL MDL No:
Product Description
Catalog Number:
AG002RFL
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(2-furanylmethyl)-6-methyl-
CAS Number:
26035-90-5
Molecular Formula:
C12H10ClN3O
Molecular Weight:
247.6803
IUPAC Name:
4-chloro-7-(furan-2-ylmethyl)-6-methylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C12H10ClN3O/c1-8-5-10-11(13)14-7-15-12(10)16(8)6-9-3-2-4-17-9/h2-5,7H,6H2,1H3
InChI Key:
CICNPLSIEHBPHC-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1cc(n2Cc1ccco1)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.682g/mol
Monoisotopic Mass:
247.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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