200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 2007920-25-2
2007920-25-2 | Benzoic acid, 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, 1,1-dimethylethyl ester
CAS No: 2007920-25-2 Catalog No: AG002D0K MDL No:
Product Description
Catalog Number:
AG002D0K
Chemical Name:
Benzoic acid, 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, 1,1-dimethylethyl ester
CAS Number:
2007920-25-2
Molecular Formula:
C18H17FN2O3
Molecular Weight:
328.3376
IUPAC Name:
tert-butyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
InChI:
InChI=1S/C18H17FN2O3/c1-18(2,3)24-17(22)14-5-4-12(19)9-15(14)23-13-8-11-6-7-20-16(11)21-10-13/h4-10H,1-3H3,(H,20,21)
InChI Key:
GEDSCQZIOWXXTA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)OC(C)(C)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.343g/mol
Monoisotopic Mass:
328.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.