Structure Info
- Chemspace ID
- CSSB00000716672 (In-Stock Building Blocks)
- CAS
- 1260679-57-9
- MFCD
- MFCD16036865
- IUPAC Name
- methyl 4-(aminomethyl)-3-bromobenzoate
- Mol formula
- C9H10BrNO2
- Mol weight
- 244 Da
- Catalog Number(s)
- A1059811, AR000RRC, BBV-40267765, BD01000401, CSC000716672, D88082, D88082-0.1G, D88082-0.25G, EN300-170531, KAC67957, LAN-B69012, LN01811120, M287518, SAB-090758, SC-37479, Y4161609
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.87
- Heavy atoms count
- 13
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00000716672
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