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1275608-17-7 | 7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-6-ethyl-
CAS No: 1275608-17-7 Catalog No: AG000X5R MDL No:MFCD21609285
Product Description
Catalog Number:
AG000X5R
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-6-ethyl-
CAS Number:
1275608-17-7
Molecular Formula:
C8H7Cl2N3
Molecular Weight:
216.0673
MDL Number:
MFCD21609285
IUPAC Name:
2,4-dichloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C8H7Cl2N3/c1-2-4-3-5-6(9)12-8(10)13-7(5)11-4/h3H,2H2,1H3,(H,11,12,13)
InChI Key:
DAIHJEKQJWHQEZ-UHFFFAOYSA-N
SMILES:
CCc1cc2c([nH]1)nc(nc2Cl)Cl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.065g/mol
Monoisotopic Mass:
215.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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