COC(=O)COc1ccc2ccc(OCCOCCBr)c(C(C)=O)c2c1
名称: [[8-acetyl-7-[2-[2-bromoethoxy)ethoxy]-2-naphthalenyl]oxy]acetic acid methyl ester
SMILES: COC(=O)COc1ccc2ccc(OCCOCCBr)c(C(C)=O)c2c1

Molecular Processing

Molecular formula
C19H21BrO6
Molecular weight
425.28
Exact mass
424.0522
XLogP
3.38
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
101.57

Supplementary Information

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