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13311-88-1 | Propanamide, 2,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-
CAS No: 13311-88-1 Catalog No: AG00149U MDL No:
Product Description
Catalog Number:
AG00149U
Chemical Name:
Propanamide, 2,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-
CAS Number:
13311-88-1
Molecular Formula:
C12H13F3N2O3
Molecular Weight:
290.2384
IUPAC Name:
2,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
InChI:
InChI=1S/C12H13F3N2O3/c1-11(2,3)10(18)16-7-4-5-9(17(19)20)8(6-7)12(13,14)15/h4-6H,1-3H3,(H,16,18)
InChI Key:
REOMFOZWXMXDFP-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.242g/mol
Monoisotopic Mass:
290.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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