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1260785-39-4 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2,4-dichloro-, ethyl ester
CAS No: 1260785-39-4 Catalog No: AG000R8J MDL No:
Product Description
Catalog Number:
AG000R8J
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2,4-dichloro-, ethyl ester
CAS Number:
1260785-39-4
Molecular Formula:
C9H7Cl2N3O2
Molecular Weight:
260.0768
IUPAC Name:
ethyl 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H7Cl2N3O2/c1-2-16-8(15)5-3-4-6(10)13-9(11)14-7(4)12-5/h3H,2H2,1H3,(H,12,13,14)
InChI Key:
KPFDAGIRGGNUEC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)nc(nc2Cl)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.074g/mol
Monoisotopic Mass:
258.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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