Basic information
- CAS
345991-81-3- Standard SMILES
COC(=O)c1ccc(CNC(=O)CCl)o1- InChIKey
GCUIIZROYFZOCF-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO4
- Average molar mass
- 231.63 g/mol
- Monoisotopic mass
- 231.0298355
Names & identifiers
- Preferred name
- Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate
- IUPAC
- methyl 5-[[(2-chloroacetyl)amino]methyl]furan-2-carboxylate
- English name
- CHEMBRDG-BB 6974944
- Molecular formula
- C9H10ClNO4
- Molecular weight
- 231.63
Names & synonyms
345991-81-3METHYL 5-{[(CHLOROACETYL)AMINO]METHYL}-2-FUROATEmethyl 5-[[(2-chloroacetyl)amino]methyl]furan-2-carboxylateMethyl 5-((2-chloroacetamido)methyl)furan-2-carboxylateMFCD02029657METHYL 5-[(2-CHLOROACETAMIDO)METHYL]FURAN-2-CARBOXYLATEMethyl 5-([(chloroacetyl)amino]methyl)-2-furoateMethyl5-{[(chloroacetyl)amino]methyl}-2-furoate2-furancarboxylic acid, 5-[[(chloroacetyl)amino]methyl]-, methyl estermethyl 5-[(2-chloroacetylamino)methyl]furan-2-carboxylateMETHYL 5-[[(CHLOROACETYL)AMINO]METHYL]-2-FUROATEmethyl 5-{[(chloroacetyl)amino]methyl}furan-2-carboxylate
Show more names
ZINC00085104A2247/0094610CHEMBRDG-BB 6974944methyl 5-[(2-chloroethanoylamino)methyl]furan-2-carboxylatemethyl 5-{[(chloroacetyl)amino]methyl}-2-furoate(SALTDATA: FREE)5-[[(2-chloroacetyl)amino]methyl]furan-2-carboxylic acid methyl ester2-Furancarboxylic acid, 5-[[(2-chloroacetyl)amino]methyl]-, methyl ester5-[[(2-chloro-1-oxoethyl)amino]methyl]-2-furancarboxylic acid methyl ester
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Chemistry & industry
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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