CAS: 328-80-3
이름: 3-nitro-5-(trifluoromethyl)benzoic acid
SMILES:
C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)OMolecular Processing
Molecular formula
C8H4F3NO4
Molecular weight
235.12
Exact mass
235.0092
XLogP
2.31
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.06
Supplementary Information
InChIKey: ODCLHXGXGFBBTA-UHFFFAOYSA-N
동의어
3-Nitro-5-(trifluoromethyl)benzoic acid328-80-33-Nitro-5-trifluoromethylbenzoic acidODCLHXGXGFBBTA-UHFFFAOYSA-DTXSID10346941RefChem:95003DTXCID70298013630-023-7InChI=1/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)ODCLHXGXGFBBTA-UHFFFAOYSA-NMFCD000245093-Trifluoromethyl-5-nitrobenzoic Acid3-Carboxy-5-nitrobenzotrifluoride3-(trifluoromethyl)-5-nitrobenzoic acidBenzoic acid, 3-nitro-5-(trifluoromethyl)-SCHEMBL129366SCHEMBL969123CHEMBL2179900STR05281CL8096SBB0285655-Trifluoromethyl-3-nitrobenzoic acid3-nitro-5-trifluormethyl-benzoic acidAKOS0052168923-nitro-5(trifluoromethyl)benzoic acid3-Nitro-5-(trifluoromethyl)benzoicacid3-Nitro-5-trifluoromethyl benzoic acid3-Nitro-5-trifluoromethyl-benzoic acid5-nitro-3-trifluoromethyl-benzoic acida,a,a-trifluoro-5-nitro-m-toluic acid
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