Basic information
- CAS
3159-29-3- Standard SMILES
O=C(Nc1cccc(Cl)c1)OCC#CCOC(=O)Nc1cccc(Cl)c1- InChIKey
PXWJNTIDFAQYNZ-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N2O4
- Average molar mass
- 393.2 g/mol
- Monoisotopic mass
- 392.0330623
Names & identifiers
- Preferred name
- Carbanilic acid, 3-chloro-, 2-butenylene ester
- IUPAC
- 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate
Names & synonyms
Carbanilic acid, 3-chloro-, 2-butenylene ester3159-29-3DTXSID50185477RefChem:1081079DTXCID60107968But-2-yne-1,4-diyl bis[(3-chlorophenyl)carbamate]3-Chlorocarbanilic acid 2-butenylene esterBRN 30135102-Butinylen-bis-N-3-chlorfenyl karbamat [Czech]2-Butinylen-bis-N-3-chlorfenyl karbamatCarbamic acid, (3-chlorophenyl)-, 2-butyne-1,4-diyl esterNSC408475
Show more names
4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamateAKOS024429256NSC 408475NSC-408475DS-0074172-BUTYNE-1,4-DIOL BIS-(3-CHLOROCARBANILATE)Carbanilic acid, m-chloro-, diester with 2-butyne-1,4-diolCARBAMIC ACID,(3-CHLOROPHENYL)-, 2-BUTYNE-1,4-DIYL ESTER (9CI)
Database identifiers
- CAS
3159-29-3- PubChem CID
- 101367
- DTXSID
DTXSID50185477
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…