Basic information
- CAS
17929-34-9- Standard SMILES
O=c1oc2ccc(Cl)cc2n1CO- InChIKey
FSCPTWHCVYVMGT-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 5-chloro-3-hydroxymethyl-
- IUPAC
- 5-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2-one
- English name
- 5-Chloro-3-(hydroxymethyl)benzoxazol-2(3H)-one
- Molecular formula
- C8H6ClNO3
- Molecular weight
- 199.59
Names & synonyms
17929-34-9N-(Hydroxymethyl)chlorzoxazoneBRN 12141452-BENZOXAZOLINONE, 5-CHLORO-3-HYDROXYMETHYL-2-Benzoxazolinone-3-methanol, 5-chloro-2(3H)-Benzoxazolone, 5-chloro-3-(hydroxymethyl)-DTXSID80170790RefChem:256431DTXCID80932812(3H)-Benzoxazolone, 5-chloro-3-(hydroxymethyl)-(9CI)5-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2-one5-Chloro-3-(hydroxymethyl)benzoxazol-2(3H)-one
Show more names
5-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
17929-34-9- PubChem CID
- 28840
- DTXSID
DTXSID80170790- Nikkaji
- J41.866H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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