Basic information
- CAS
500718-16-1- Standard SMILES
COc1cc(OC)c(C(N)C(=O)O)cc1Br- InChIKey
IKPNHXLJZXMYIB-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO4
- Average molar mass
- 290.11 g/mol
- Monoisotopic mass
- 288.99497
Names & identifiers
- Preferred name
- Amino(5-bromo-2,4-dimethoxyphenyl)acetic acid
- IUPAC
- 2-amino-2-(5-bromo-2,4-dimethoxyphenyl)acetic acid
- English name
- Amino(5-bromo-2,4-dimethoxyphenyl)acetic acid
- Molecular formula
- C10H12BrNO4
- Molecular weight
- 290.11
Names & synonyms
500718-16-1amino(5-bromo-2,4-dimethoxyphenyl)acetic acid2-amino-2-(5-bromo-2,4-dimethoxyphenyl)acetic acidMFCD026627022-amino-2-(5-bromo-2,4-dimethoxy-phenyl)acetic AcidDTXSID30397677STK893171AKOS001475956DB-264327CS-0323051Amino(5-bromo-2,4-dimethoxyphenyl)acetic acid (H-Phg(5-Br,2,4-diOMe)-OH)Benzeneacetic acid, α-amino-5-bromo-2,4-dimethoxy-
Database identifiers
- CAS
500718-16-1- PubChem CID
- 3873370
- DTXSID
DTXSID30397677
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- HS Code
- 2922500090 · 2922500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922500090
Chemistry & industry
Suppliers4 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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