200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88840-16-8
88840-16-8 | Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-hydroxy-7-nitro-, (R)-
CAS No: 88840-16-8 Catalog No: AG004AIY MDL No:
Product Description
Catalog Number:
AG004AIY
Chemical Name:
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-hydroxy-7-nitro-, (R)-
CAS Number:
88840-16-8
Molecular Formula:
C11H9N3O4
Molecular Weight:
247.2069
IUPAC Name:
3-hydroxy-7-nitro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
InChI:
InChI=1S/C11H9N3O4/c15-9-3-4-13-10(9)12-8-2-1-6(14(17)18)5-7(8)11(13)16/h1-2,5,9,15H,3-4H2
InChI Key:
JBOITBIZQVVOFQ-UHFFFAOYSA-N
SMILES:
O[C@@H]1CCn2c1nc1ccc(cc1c2=O)[N+](=O)[O-]
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.21g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.