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188844-98-6 | Benzenamine, N-[4-(1,1-dimethylethyl)phenyl]-2-nitro-
CAS No: 188844-98-6 Catalog No: AG002HEZ MDL No:
Product Description
Catalog Number:
AG002HEZ
Chemical Name:
Benzenamine, N-[4-(1,1-dimethylethyl)phenyl]-2-nitro-
CAS Number:
188844-98-6
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
IUPAC Name:
N-(4-tert-butylphenyl)-2-nitroaniline
InChI:
InChI=1S/C16H18N2O2/c1-16(2,3)12-8-10-13(11-9-12)17-14-6-4-5-7-15(14)18(19)20/h4-11,17H,1-3H3
InChI Key:
FDXIOFMESFWELL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Nc1ccc(cc1)C(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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