1,1-bis(4-(N,N-bis-2-chloroethylcarbamoyloxy)phenyl)-2-phenylbut-1-ene
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Basic information
- CAS
110008-65-6- Standard SMILES
CCC(=C(c1ccc(OC(=O)N(CCCl)CCCl)cc1)c1ccc(OC(=O)N(CCCl)CCCl)cc1)c1ccccc1- InChIKey
CYUVQCXCRMNVKT-UHFFFAOYSA-N- Molecular formula
- C32H34Cl4N2O4
- Average molar mass
- 652.4 g/mol
- Monoisotopic mass
- 650.127268
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,1-bis(4-(N,N-bis-2-chloroethylcarbamoyloxy)phenyl)-2-phenylbut-1-ene
- IUPAC
- [4-[1-[4-[bis(2-chloroethyl)carbamoyloxy]phenyl]-2-phenylbut-1-enyl]phenyl] N,N-bis(2-chloroethyl)carbamate
- English name
- 1,1-bis(4-(N,N-bis-2-chloroethylcarbamoyloxy)phenyl)-2-phenylbut-1-ene
- Molecular formula
- C32H34Cl4N2O4
- Molecular weight
- 652.44
Names & synonyms
1,1-(Cecopb)110008-65-61,1-Bis(4-(N,N-bis-2-chloroethylcarbamoyloxy)phenyl)-2-phenylbut-1-eneDTXSID20149102RefChem:70985DTXCID5071593(2-Phenyl-1-butenylidene)di-4,1-phenylene bis(2-chloroethyl)carbamate(2-Phenylbut-1-ene-1,1-diyl)di(4,1-phenylene) bis[bis(2-chloroethyl)carbamate]Carbamic acid, bis(2-chloroethyl)-, (2-phenyl-1-butenylidene)di-4,1-phenylene esterCarbamic acid, bis(2-chloroethyl)-, (2-phenyl-1-butenylidene)di-4,1-phenylene ester (9CI)
Database identifiers
- CAS
110008-65-6- PubChem CID
- 130618
- DTXSID
DTXSID20149102
Properties
Computed structural propertiesFilling in
- XLogP
- 9
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 774
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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