200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1030389-82-2
1030389-82-2 | 3-Methyl-1-[1-(2-methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium
CAS No: 1030389-82-2 Catalog No: AG01F5GS MDL No:
Product Description
Catalog Number:
AG01F5GS
Chemical Name:
3-Methyl-1-[1-(2-methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium
CAS Number:
1030389-82-2
Molecular Formula:
C16H18N3O3+
Molecular Weight:
300.3324
IUPAC Name:
N-(2-methyl-4-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)propanamide
InChI:
InChI=1S/C16H17N3O3/c1-11-5-4-8-18(10-11)13(3)16(20)17-15-7-6-14(19(21)22)9-12(15)2/h4-10,13H,1-3H3/p+1
InChI Key:
OCOMBGIZWHRXTL-UHFFFAOYSA-O
SMILES:
O=C(C([n+]1cccc(c1)C)C)Nc1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.135g/mol
Formal Charge:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.338g/mol
Monoisotopic Mass:
300.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.