CAS: 400-99-7
名称: 2-nitro-4-(trifluoromethyl)phenol
SMILES:
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])OMolecular Processing
Molecular formula
C7H4F3NO3
Molecular weight
207.11
Exact mass
207.0143
XLogP
2.32
TPSA
63.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
39.76
Supplementary Information
InChIKey: XZEDEVRSUANQEM-UHFFFAOYSA-N
同義語
2-Nitro-4-(trifluoromethyl)phenolPhenol, 2-nitro-4-(trifluoromethyl)-BRN 2215510EINECS 206-927-9DTXSID6059946XZEDEVRSUANQEM-UHFFFAOYSA-4-06-00-02150 (Beilstein Handbook Reference)RefChem:88674DTXCID2039704206-927-9InChI=1/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12HXZEDEVRSUANQEM-UHFFFAOYSA-N400-99-74-Hydroxy-3-nitrobenzotrifluorideMFCD000097912-Nitro-4-Trifluoromethylphenol2-nitro-4-trifluoromethyl-phenol2-Nitro-alpha,alpha,alpha-trifluoro-p-cresolCU9AQU8UALp-Cresol, 2-nitro-alpha,alpha,alpha-trifluoro-SCHEMBL1026402SCHEMBL11668743SBB064093AKOS0050638514-TRIFLUOROMETHYL-2-NITROPHENOLAC-3815AS-8579CS-W015280EBC-151095SB73977
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