200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1638767-44-8
1638767-44-8 | 7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid, 5-bromo-, methyl ester
CAS No: 1638767-44-8 Catalog No: AG001UHX MDL No:
Product Description
Catalog Number:
AG001UHX
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid, 5-bromo-, methyl ester
CAS Number:
1638767-44-8
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
IUPAC Name:
methyl 5-bromo-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-8(13)7-10-2-4-5(9)3-11-6(4)12-7/h2-3H,1H3,(H,10,11,12)
InChI Key:
PCVIPDFMIIGETG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc2c(n1)[nH]cc2Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.