Home Other Building Blocks 4-NITRO-2-(TRIFLUOROMETHYL)ACETANILIDE

4-NITRO-2-(TRIFLUOROMETHYL)ACETANILIDE

CAS No.:
395-68-6
Catalog Number:
AG003LUI
Molecular Formula:
C9H7F3N2O3
Molecular Weight:
248.1587
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Product Description
Catalog Number:
AG003LUI
Chemical Name:
4-NITRO-2-(TRIFLUOROMETHYL)ACETANILIDE
CAS Number:
395-68-6
Molecular Formula:
C9H7F3N2O3
Molecular Weight:
248.1587
MDL Number:
MFCD00052846
IUPAC Name:
N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C9H7F3N2O3/c1-5(15)13-8-3-2-6(14(16)17)4-7(8)9(10,11)12/h2-4H,1H3,(H,13,15)
InChI Key:
RBEVUHKSMGYLIF-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.041g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.161g/mol
Monoisotopic Mass:
248.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties