Basic information
- CAS
26310-11-2- Standard SMILES
C#CCOCC(COc1ccc(Br)cc1)OC(N)=O- InChIKey
XMHLLHQSWQUNTQ-UHFFFAOYSA-N- Molecular formula
- C13H14BrNO4
- Average molar mass
- 328.16 g/mol
- Monoisotopic mass
- 327.01062
Names & identifiers
- Preferred name
- 2-Propanol, 1-(4-bromophenoxy)-3-(2-propynyloxy)-, carbamate
- IUPAC
- [1-(4-bromophenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
- English name
- 1-(p-Bromophenoxy)-3-(2-propynyloxy)-2-propanol carbamate
- Molecular formula
- C13H14BrNO4
- Molecular weight
- 328.16
Names & synonyms
26310-11-21-(4-Bromophenoxy)-3-(2-propynyloxy)-2-propanol carbamate1-Propynyloxy-2-carbamoyl glycerol 3-(4-bromophenyl) ether2-Propanol, 1-(4-bromophenoxy)-3-(2-propynyloxy)-, carbamateRefChem:265774DTXSID209491691-(4-Bromophenoxy)-3-[(prop-2-yn-1-yl)oxy]propan-2-yl hydrogen carbonimidate1-(p-Bromophenoxy)-3-(2-propynyloxy)-2-propanol carbamate2-Propanol, 1-(4-bromophenoxy)-3-(2-propynyloxy)-, carbamate (9CI)
Database identifiers
- CAS
26310-11-2- PubChem CID
- 213380
- DTXSID
DTXSID20949169- Nikkaji
- J50.954J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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