이름: 3-Bromomethylbenzo[b]thiophene-6-carboxylic acid methyl ester
SMILES:
COC(=O)c1ccc2c(CBr)csc2c1Molecular Processing
Molecular formula
C11H9BrO2S
Molecular weight
285.16
Exact mass
283.9507
XLogP
3.58
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
65.8
Supplementary Information
상세 정보 불러오는 중…
6개 반응에 참여→