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163704-72-1 | Benzenamine, 2,6-bis(1-methylethyl)-4-nitro-
CAS No: 163704-72-1 Catalog No: AG001UBW MDL No:
Product Description
Catalog Number:
AG001UBW
Chemical Name:
Benzenamine, 2,6-bis(1-methylethyl)-4-nitro-
CAS Number:
163704-72-1
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
4-nitro-2,6-di(propan-2-yl)aniline
InChI:
InChI=1S/C12H18N2O2/c1-7(2)10-5-9(14(15)16)6-11(8(3)4)12(10)13/h5-8H,13H2,1-4H3
InChI Key:
VQMXCKREXFUBLS-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1N)C(C)C)[N+](=O)[O-])C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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