200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1157591-66-6
1157591-66-6 | N-butyl-2-methyl-3-nitroaniline
CAS No: 1157591-66-6 Catalog No: AG01AZ9C MDL No:MFCD12038280
Product Description
Catalog Number:
AG01AZ9C
Chemical Name:
N-butyl-2-methyl-3-nitroaniline
CAS Number:
1157591-66-6
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD12038280
IUPAC Name:
N-butyl-2-methyl-3-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-3-4-8-12-10-6-5-7-11(9(10)2)13(14)15/h5-7,12H,3-4,8H2,1-2H3
InChI Key:
YJWSQRBYLZIGNN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)NCCCC
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.