Home Nitros Methyl 4-nitro-2-trifluoroMethylbenzoate

Methyl 4-nitro-2-trifluoroMethylbenzoate

CAS No.:
900254-47-9
Catalog Number:
AG00GYNJ
Molecular Formula:
C9H6F3NO4
Molecular Weight:
249.1434
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Product Description
Catalog Number:
AG00GYNJ
Chemical Name:
Methyl 4-nitro-2-trifluoroMethylbenzoate
CAS Number:
900254-47-9
Molecular Formula:
C9H6F3NO4
Molecular Weight:
249.1434
MDL Number:
MFCD14698082
IUPAC Name:
methyl 4-nitro-2-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6F3NO4/c1-17-8(14)6-3-2-5(13(15)16)4-7(6)9(10,11)12/h2-4H,1H3
InChI Key:
VMDFHCYVCFQUFV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.025g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.145g/mol
Monoisotopic Mass:
249.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties