Basic information
- CAS
42180-82-5- Standard SMILES
Cc1cc2cc(Cl)ccc2o1- InChIKey
UDTLANWPHSQSCO-UHFFFAOYSA-N- Molecular formula
- C9H7ClO
- Average molar mass
- 166.6 g/mol
- Monoisotopic mass
- 166.0185425
Names & identifiers
- Preferred name
- 5-Chloro-2-methylbenzofuran
- IUPAC
- 5-chloro-2-methyl-1-benzofuran
- English name
- 5-Chloro-2-methylbenzofuran
- Molecular formula
- C9H7ClO
- Molecular weight
- 166.6
Names & synonyms
5-CHLORO-2-METHYLBENZOFURAN42180-82-5Benzofuran, 5-chloro-2-methyl-DTXSID60195002RefChem:102320DTXCID30117493UDTLANWPHSQSCO-UHFFFAOYSA-N5-Chloro-2-methyl-1-benzofuran5-chloro-2-methyl-BenzofuranSCHEMBL434464SCHEMBL2056670SCHEMBL2090135
Show more names
SCHEMBL7976274SCHEMBL160483615-Chloro-2-methyl-1-benzofuran #MFCD09842506AKOS006311700DA-37556SY399273
Database identifiers
- CAS
42180-82-5- PubChem CID
- 39146
- DTXSID
DTXSID60195002- Nikkaji
- J100.267H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 128 · 128-133 °C(Press: 25 Torr)
- Density
- 1.2122 g/cm3 · 1.2122 g/cm3(Temp: 25 °C)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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