이름: 1-(12-bromododecylsulfanylmethyl)-4-methoxybenzene
SMILES:
COC1=CC=C(C=C1)CSCCCCCCCCCCCCBrMolecular Processing
Molecular formula
C20H33BrOS
Molecular weight
401.45
Exact mass
400.1435
XLogP
7.22
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
15
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
109.12
Supplementary Information
InChIKey: LMEQWAHQLKWJLP-UHFFFAOYSA-N
동의어
SCHEMBL531291LMEQWAHQLKWJLP-UHFFFAOYSA-N12-p-methoxybenzylthio-1-bromododecane
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