C1C(OC2=C(O1)C=CC(=C2)Br)CO
CAS: 187543-81-3
Nombre: [(3S)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
SMILES: C1C(OC2=C(O1)C=CC(=C2)Br)CO

Molecular Processing

Molecular formula
C9H9BrO3
Molecular weight
245.07
Exact mass
243.9735
XLogP
1.58
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
51.14

Supplementary Information

InChIKey: FJGPKNZNSQTEAL-ZETCQYMHSA-N
Sinónimos
(S)-(7-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol187543-81-31,4-Benzodioxin-2-methanol, 7-bromo-2,3-dihydro-, (2S)-SCHEMBL1019914SCHEMBL29444735HKP0270FJGPKNZNSQTEAL-ZETCQYMHSA-NH40313A1-01532[(2S)-7-bromo-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
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