이름: 4-(4-bromo-3-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethyl-valeric acid ethyl ester
SMILES:
CCOC(=O)C(O)(CC(C)(C)c1ccc(Br)c(OC)c1)C(F)(F)FMolecular Processing
Molecular formula
C16H20BrF3O4
Molecular weight
413.23
Exact mass
412.0497
XLogP
3.98
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
85.97
Supplementary Information
상세 정보 불러오는 중…
3개 반응에 참여→