Basic information
- CAS
2164-37-6- Standard SMILES
OCC1COc2cc(Cl)c(Cl)cc2O1- InChIKey
YSKZPQPJOWLVSP-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O3
- Average molar mass
- 235.06 g/mol
- Monoisotopic mass
- 233.9850495
Names & identifiers
- Preferred name
- 1,4-Benzodioxan-2-methanol, 6,7-dichloro-
- IUPAC
- (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
Names & synonyms
2164-37-61,4-BENZODIOXAN-2-METHANOL, 6,7-DICHLORO-RefChem:1053170NSC663622(6,7-Dichloro-2,3-dihydro-1,4-benzodioxin-2-yl)methanol6,7-Dichloro-1,4-benzodioxan-2-methanol(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanolBRN 1244761SCHEMBL8131205CHEMBL1999269DTXSID60944234NSC-663622
Show more names
NCI60_021841
Database identifiers
- CAS
2164-37-6- PubChem CID
- 16563
- DTXSID
DTXSID60944234- ChEMBL
CHEMBL1999269- Nikkaji
- J71.431C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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