Basic information
- CAS
161798-25-0- Standard SMILES
O=c1cc(CBr)c2ccc(O)cc2o1- InChIKey
XFNVWGFZARBVBT-UHFFFAOYSA-N- Molecular formula
- C10H7BrO3
- Average molar mass
- 255.06 g/mol
- Monoisotopic mass
- 253.95785618
Names & identifiers
- Preferred name
- 4-Bromomethyl-7-hydroxycoumarin
- IUPAC
- 4-(bromomethyl)-7-hydroxychromen-2-one
- English name
- 4-(bromomethyl)-7-hydroxy-chromen-2-one
- Molecular formula
- C10H7BrO3
- Molecular weight
- 255.06
Names & synonyms
4-(Bromomethyl)-7-hydroxy-2H-chromen-2-one4-bromomethyl-7-hydroxycoumarin9B6VKC9ZVK4-(bromomethyl)-7-hydroxy-2h-1-benzopyran-2-oneNSC-667229DTXSID80167241RefChem:198627DTXCID9089732161798-25-04-(bromomethyl)-7-hydroxychromen-2-one7-Hydroxy-4-(bromomethyl)coumarinNSC667229
Show more names
2H-1-Benzopyran-2-one, 4-(bromomethyl)-7-hydroxy-NSC 667229UNII-9B6VKC9ZVK4-(BROMOMETHYL)-7-HYDROXY-CHROMEN-2-ONESCHEMBL3868315CHEMBL1996493XFNVWGFZARBVBT-UHFFFAOYSA-NGEO-02733
Database identifiers
- CAS
161798-25-0- PubChem CID
- 5465897
- DTXSID
DTXSID80167241- ChEMBL
CHEMBL1996493- UNII
- 9B6VKC9ZVK
- Nikkaji
- J2.389.860H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- FDA UNII
- 9 B6VKC9ZVK · 9B6VKC9ZVK
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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Related reactions
1 records
Compound notes
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