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Home > Aldehydes > 1638767-57-3
1638767-57-3 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde, 2,4-dichloro-
CAS No: 1638767-57-3 Catalog No: AG001UHW MDL No:
Product Description
Catalog Number:
AG001UHW
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde, 2,4-dichloro-
CAS Number:
1638767-57-3
Molecular Formula:
C7H3Cl2N3O
Molecular Weight:
216.0242
IUPAC Name:
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C7H3Cl2N3O/c8-5-4-3(2-13)1-10-6(4)12-7(9)11-5/h1-2H,(H,10,11,12)
InChI Key:
PEXLLWSAFWLAEU-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(Cl)nc(n2)Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.021g/mol
Monoisotopic Mass:
214.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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