200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1260666-52-1
1260666-52-1 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2,4-dichloro-, methyl ester
CAS No: 1260666-52-1 Catalog No: AG000R09 MDL No:MFCD18250578
Product Description
Catalog Number:
AG000R09
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2,4-dichloro-, methyl ester
CAS Number:
1260666-52-1
Molecular Formula:
C8H5Cl2N3O2
Molecular Weight:
246.0502
MDL Number:
MFCD18250578
IUPAC Name:
methyl 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C8H5Cl2N3O2/c1-15-7(14)4-2-3-5(9)12-8(10)13-6(3)11-4/h2H,1H3,(H,11,12,13)
InChI Key:
YUMMTTBFLHJEMC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)nc(nc2Cl)Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.047g/mol
Monoisotopic Mass:
244.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.