名称: 3-(3-methoxyphenyl)butyl-triphenylphosphanium bromide
SMILES:
CC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)OC.[Br-]Molecular Processing
Molecular formula
C29H30BrOP
Molecular weight
505.44
Exact mass
504.1218
XLogP
3.19
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.172
Molar refractivity
136.04
Supplementary Information
InChIKey: STRNAEYSNDULBV-UHFFFAOYSA-M
同義語
SCHEMBL11161533STRNAEYSNDULBV-UHFFFAOYSA-M3-(3-methoxyphenyl)butyltriphenylphosphonium bromide3-(3-methoxyphenyl)butyl triphenylphosphonium bromide
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