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853058-42-1 | Ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
CAS No: 853058-42-1 Catalog No: AG004LP2 MDL No:MFCD10566079
Product Description
Catalog Number:
AG004LP2
Chemical Name:
Ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
CAS Number:
853058-42-1
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD10566079
IUPAC Name:
ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)5-3-11-7-6(5)12-4-13-8(7)10/h3-4,11H,2H2,1H3
InChI Key:
RJYXGAURZSGDON-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c1ncnc2Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.632g/mol
Monoisotopic Mass:
225.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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