200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 412008-72-1
412008-72-1 | 1H-Benzimidazole-4-carboxaldehyde, 1-methyl-2-(2-nitrophenyl)-
CAS No: 412008-72-1 Catalog No: AG0072V7 MDL No:
Product Description
Catalog Number:
AG0072V7
Chemical Name:
1H-Benzimidazole-4-carboxaldehyde, 1-methyl-2-(2-nitrophenyl)-
CAS Number:
412008-72-1
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
IUPAC Name:
1-methyl-2-(2-nitrophenyl)benzimidazole-4-carbaldehyde
InChI:
InChI=1S/C15H11N3O3/c1-17-13-8-4-5-10(9-19)14(13)16-15(17)11-6-2-3-7-12(11)18(20)21/h2-9H,1H3
InChI Key:
LSYWRQNAYLSIJL-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1nc(n2C)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.