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28458-45-9 | Benzenamine, N-(1,1-dimethylethyl)-2-nitro-
CAS No: 28458-45-9 Catalog No: AG002VCH MDL No:MFCD16170799
Product Description
Catalog Number:
AG002VCH
Chemical Name:
Benzenamine, N-(1,1-dimethylethyl)-2-nitro-
CAS Number:
28458-45-9
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD16170799
IUPAC Name:
N-tert-butyl-2-nitroaniline
InChI:
InChI=1S/C10H14N2O2/c1-10(2,3)11-8-6-4-5-7-9(8)12(13)14/h4-7,11H,1-3H3
InChI Key:
HIGVOOQGROZGET-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1NC(C)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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