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Home > Nitro Compounds > 87315-20-6
87315-20-6 | Butanamide, 3,3-dimethyl-N-(4-nitrophenyl)-
CAS No: 87315-20-6 Catalog No: AG004LHP MDL No:
Product Description
Catalog Number:
AG004LHP
Chemical Name:
Butanamide, 3,3-dimethyl-N-(4-nitrophenyl)-
CAS Number:
87315-20-6
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
3,3-dimethyl-N-(4-nitrophenyl)butanamide
InChI:
InChI=1S/C12H16N2O3/c1-12(2,3)8-11(15)13-9-4-6-10(7-5-9)14(16)17/h4-7H,8H2,1-3H3,(H,13,15)
InChI Key:
WRHVCKUCNADMOB-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])CC(C)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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