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Home > Nitro Compounds > 1156676-44-6
1156676-44-6 | 3-methyl-N-(2-methylpropyl)-4-nitroaniline
CAS No: 1156676-44-6 Catalog No: AG01AYN8 MDL No:MFCD12169121
Product Description
Catalog Number:
AG01AYN8
Chemical Name:
3-methyl-N-(2-methylpropyl)-4-nitroaniline
CAS Number:
1156676-44-6
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD12169121
IUPAC Name:
3-methyl-N-(2-methylpropyl)-4-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-8(2)7-12-10-4-5-11(13(14)15)9(3)6-10/h4-6,8,12H,7H2,1-3H3
InChI Key:
ZVZQEWDAGDPBBN-UHFFFAOYSA-N
SMILES:
CC(CNc1ccc(c(c1)C)[N+](=O)[O-])C
Properties
Complexity:
213
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:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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