COC(=O)C1=CC=CC2=C1C=CC=C2C(F)(F)F
CAS: 84532-80-9
이름: methyl 5-(trifluoromethyl)naphthalene-1-carboxylate
SMILES: COC(=O)C1=CC=CC2=C1C=CC=C2C(F)(F)F

Molecular Processing

Molecular formula
C13H9F3O2
Molecular weight
254.21
Exact mass
254.0555
XLogP
3.65
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
60.29

Supplementary Information

InChIKey: ZLIJOOSYZMSWAR-UHFFFAOYSA-N
동의어
5-(trifluoromethyl)-1-naphthalenecarboxylic acid methyl esterSCHEMBL10391427Methyl 1-(trifluoromethyl)naphthalene-5-carboxylate84532-80-9
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