200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1638760-02-7
1638760-02-7 | 5H-Pyrrolo[3,2-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester
CAS No: 1638760-02-7 Catalog No: AG001UHP MDL No:
Product Description
Catalog Number:
AG001UHP
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester
CAS Number:
1638760-02-7
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
IUPAC Name:
ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-3-5-7(13-6)8(10)12-4-11-5/h3-4,13H,2H2,1H3
InChI Key:
BPIURKULUNOLCK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)c(Cl)ncn2
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:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.