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Home > Nitro Compounds > 450357-07-0
450357-07-0 | N-butyl-3-methyl-4-nitroaniline
CAS No: 450357-07-0 Catalog No: AG01AYNA MDL No:MFCD12169131
Product Description
Catalog Number:
AG01AYNA
Chemical Name:
N-butyl-3-methyl-4-nitroaniline
CAS Number:
450357-07-0
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD12169131
IUPAC Name:
N-butyl-3-methyl-4-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-3-4-7-12-10-5-6-11(13(14)15)9(2)8-10/h5-6,8,12H,3-4,7H2,1-2H3
InChI Key:
WENCGOUEMXZUAC-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(c(c1)C)[N+](=O)[O-]
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:
4.1
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