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157554-76-2 | Acetamide, N-[4-bromo-2-nitro-5-(trifluoromethyl)phenyl]-
CAS No: 157554-76-2 Catalog No: AG001PID MDL No:MFCD09263995
Product Description
Catalog Number:
AG001PID
Chemical Name:
Acetamide, N-[4-bromo-2-nitro-5-(trifluoromethyl)phenyl]-
CAS Number:
157554-76-2
Molecular Formula:
C9H6BrF3N2O3
Molecular Weight:
327.0547
MDL Number:
MFCD09263995
IUPAC Name:
N-[4-bromo-2-nitro-5-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C9H6BrF3N2O3/c1-4(16)14-7-2-5(9(11,12)13)6(10)3-8(7)15(17)18/h2-3H,1H3,(H,14,16)
InChI Key:
RWLYLAWSMVHCEI-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(c(cc1[N+](=O)[O-])Br)C(F)(F)F
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.951g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.057g/mol
Monoisotopic Mass:
325.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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