200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 191846-76-1
191846-76-1 | 1H-Indole-3-carboxaldehyde, 5-methoxy-1-methyl-4-nitro-
CAS No: 191846-76-1 Catalog No: AG002FHR MDL No:
Product Description
Catalog Number:
AG002FHR
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-methoxy-1-methyl-4-nitro-
CAS Number:
191846-76-1
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
IUPAC Name:
5-methoxy-1-methyl-4-nitroindole-3-carbaldehyde
InChI:
InChI=1S/C11H10N2O4/c1-12-5-7(6-14)10-8(12)3-4-9(17-2)11(10)13(15)16/h3-6H,1-2H3
InChI Key:
YDMDOIHSAYQATQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])c(C=O)cn2C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.