CAS: 594810-92-1
이름: 1-(1,3-benzodioxol-4-yl)-2-bromoethanone
SMILES:
C1OC2=CC=CC(=C2O1)C(=O)CBrMolecular Processing
Molecular formula
C9H7BrO3
Molecular weight
243.06
Exact mass
241.9579
XLogP
1.99
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.69
Supplementary Information
InChIKey: LPFZTAOYCBBINP-UHFFFAOYSA-N
동의어
1-(benzo[d][1,3]dioxol-4-yl)-2-bromoethanoneSCHEMBL636844LPFZTAOYCBBINP-UHFFFAOYSA-N594810-92-11-benzo[1,3]dioxol4-yl-2-bromo-ethanone1-benzo[1,3]dioxol-4-yl-2-bromo-ethanone
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