200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 94574-24-0
94574-24-0 | 1-(1h-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
CAS No: 94574-24-0 Catalog No: AG005WCH MDL No:
Product Description
Catalog Number:
AG005WCH
Chemical Name:
1-(1h-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
CAS Number:
94574-24-0
Molecular Formula:
C17H12N2O5
Molecular Weight:
324.2876
IUPAC Name:
1-(1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
InChI:
InChI=1S/C17H12N2O5/c20-15(12-8-18-13-4-2-1-3-11(12)13)5-10-6-16-17(24-9-23-16)7-14(10)19(21)22/h1-4,6-8,18H,5,9H2
InChI Key:
UKVVXMOVJYYHNT-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)Cc1cc2OCOc2cc1[N+](=O)[O-]
NSC Number:
105334
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.292g/mol
Monoisotopic Mass:
324.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.