Home Nitros 3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-one

3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-one

CAS No.:
13541-06-5
Catalog Number:
AG01DTBI
Molecular Formula:
C9H6F3NO3
Molecular Weight:
233.1440
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Product Description
Catalog Number:
AG01DTBI
Chemical Name:
3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-one
CAS Number:
13541-06-5
Molecular Formula:
C9H6F3NO3
Molecular Weight:
233.1440
MDL Number:
MFCD30295055
IUPAC Name:
3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-one
InChI:
InChI=1S/C9H6F3NO3/c10-9(11,12)5-8(14)6-2-1-3-7(4-6)13(15)16/h1-4H,5H2
InChI Key:
VKUNLAZXIJUIDC-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])CC(F)(F)F
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.146g/mol
Monoisotopic Mass:
233.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties