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1234616-53-5 | 5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-5-methyl-, ethyl ester
CAS No: 1234616-53-5 Catalog No: AG000KNB MDL No:MFCD22415242
Product Description
Catalog Number:
AG000KNB
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-5-methyl-, ethyl ester
CAS Number:
1234616-53-5
Molecular Formula:
C10H10ClN3O2
Molecular Weight:
239.6583
MDL Number:
MFCD22415242
IUPAC Name:
ethyl 4-chloro-5-methylpyrrolo[3,2-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-14(2)8-7(6)12-5-13-9(8)11/h4-5H,3H2,1-2H3
InChI Key:
QHJRFRBZZQGKCR-UHFFFAOYSA-N
SMILES:
Cn1cc(c2c1c(Cl)ncn2)C(=O)OCC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.659g/mol
Monoisotopic Mass:
239.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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