C1=CC(=CC=C1CC(=O)O)OC(F)(F)F
CAS: 4315-07-5
Name: 2-[4-(trifluoromethoxy)phenyl]acetic acid
SMILES: C1=CC(=CC=C1CC(=O)O)OC(F)(F)F

Molecular Processing

Molecular formula
C9H7F3O3
Molecular weight
220.15
Exact mass
220.0347
XLogP
2.21
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
44.46

Supplementary Information

InChIKey: ZMTIBXQPXBUWPQ-UHFFFAOYSA-N
Synonyme
2-[4-(trifluoromethoxy)phenyl]acetic acid2-(4-(trifluoromethoxy)phenyl)acetic acidRefChem:456590624-749-34-(Trifluoromethoxy)phenylacetic acid4315-07-5MFCD00061239[4-(trifluoromethoxy)phenyl]acetic acid4-trifluoromethoxyphenylacetic acid(4-(trifluoromethoxy)phenyl)acetic acidBenzeneacetic acid, 4-(trifluoromethoxy)-4-(trifluoromethoxy)phenylaceticacidMaybridge3_006163(4-Trifluoromethoxy-phenyl)-acetic acidSCHEMBL378766orb3030542DTXSID60380471CHEBI:195143HMS1448I03Fr137264-trifluoromethoxyphenyl-acetic acidALBB-005929BBL013267CCG-46154SBB0479984-(trifluoromethoxy)-phenylacetic acidAKOS000163082CS-W002285FT32956PS-7875
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