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1566776-28-0 | 2,4-dimethyl-5-nitro-N-(propan-2-yl)aniline
CAS No: 1566776-28-0 Catalog No: AG01AWR7 MDL No:MFCD27980750
Product Description
Catalog Number:
AG01AWR7
Chemical Name:
2,4-dimethyl-5-nitro-N-(propan-2-yl)aniline
CAS Number:
1566776-28-0
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD27980750
IUPAC Name:
2,4-dimethyl-5-nitro-N-propan-2-ylaniline
InChI:
InChI=1S/C11H16N2O2/c1-7(2)12-10-6-11(13(14)15)9(4)5-8(10)3/h5-7,12H,1-4H3
InChI Key:
AKSLBNSAJMBAIO-UHFFFAOYSA-N
SMILES:
CC(Nc1cc([N+](=O)[O-])c(cc1C)C)C
Properties
Complexity:
225
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:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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