Structure Info
- Chemspace ID
- CSMB00011360761 (Enamine MADE)
- CAS
- 6342-63-8
- MFCD
- MFCD02683853
- IUPAC Name
- 1-(2-bromo-5-methoxyphenyl)ethan-1-one
- Mol formula
- C9H9BrO2
- Mol weight
- 229 Da
- Catalog Number(s)
- 183529, 6342-63-8, A019113156, A129868, A168805, A761158, AA00ECLL, ACDS-031246, ACM6342638, AG00ECOD, AG336777, AG69413, AO69413, AOS00ECOD, AR00EDDD, ArZ-UP107862, BB032139, BB4LS-PS-6236, BBV-40200195, BD49853, CD12049460, CS-0045042, CSC011360761, D519954, D960032, F20521, F218616, FB70339, HFC5379, HY-W052263, IMED3235103340, JH403872, LN01803407, LP052380, OR9600, PS-6236, R080836, SAB-089646, SC-30219, SY003343, X205453, X7018, ZX-AE047563
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.14
- Heavy atoms count
- 12
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00011360761
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