200,000+ products from a single source!
sales@angenechem.com
187724-93-2 | Benzoic acid, 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-, ethyl ester
CAS No: 187724-93-2 Catalog No: AG002GGN MDL No:
Product Description
Catalog Number:
AG002GGN
Chemical Name:
Benzoic acid, 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-, ethyl ester
CAS Number:
187724-93-2
Molecular Formula:
C15H12ClN3O2
Molecular Weight:
301.7277
IUPAC Name:
ethyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
InChI:
InChI=1S/C15H12ClN3O2/c1-2-21-15(20)10-5-3-9(4-6-10)12-7-11-13(16)17-8-18-14(11)19-12/h3-8H,2H2,1H3,(H,17,18,19)
InChI Key:
LLHVZRPIASAWJO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1cc2c([nH]1)ncnc2Cl
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.73g/mol
Monoisotopic Mass:
301.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.