Basic information
- CAS
18845-22-2- Standard SMILES
O=c1oc2ccccc2n1CCCCl- InChIKey
KRABBWWLDWGYGA-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO2
- Average molar mass
- 211.64 g/mol
- Monoisotopic mass
- 211.04000624
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 3-(3-chloropropyl)-
- IUPAC
- 3-(3-chloropropyl)-1,3-benzoxazol-2-one
- English name
- 2(3H)-Benzoxazolone, 3-(3-chloropropyl)-
- Molecular formula
- C10H10ClNO2
- Molecular weight
- 211.64
Names & synonyms
18845-22-22(3H)-BENZOXAZOLONE, 3-(3-CHLOROPROPYL)-3-(3-chloropropyl)-2,3-dihydro-1,3-benzoxazol-2-oneN-(3-chloropropyl)-2-benzoxazolinone3-(3-chloropropyl)benzo[d]oxazol-2(3H)-one3-(3-chloropropyl)-1,3-benzoxazol-2(3H)-one3-(3-CHLOROPROPYL)-1,3-BENZOXAZOL-2-ONESCHEMBL318395DTXSID90434517KRABBWWLDWGYGA-UHFFFAOYSA-NTAA84522AKOS000161369
Show more names
3-(3-chloropropyl)-2(3H)-benzoxazolone3-(3-Chloropropyl)-3H-benzooxazol-2-oneDB-356410EN300-62804G254972(3H)-BENZOXAZOLONE,3-(3-CHLOROPROPYL)-
Database identifiers
- CAS
18845-22-2- PubChem CID
- 10036072
- DTXSID
DTXSID90434517- EC Number
- 876-056-2
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 325.4 · 325.4±44.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- -0.57 · -0.57±0.20(Predicted)
Chemistry & industry
Suppliers3 total
上海达立康医药科技有限公司18658316824
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
101 records
Compound notes
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