AI56551
79794-75-5 | ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI56551
ChemicalName
ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate
CasNumber
79794-75-5
MolecularFormula
C22H23ClN2O2
MolecularWeight
382.8832
MdlNumber
MFCD00672869
Smiles
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
Complexity
569
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
5.2
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CatalogNumber: AI56551
ChemicalName: ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate
CasNumber: 79794-75-5
MolecularFormula: C22H23ClN2O2
MolecularWeight: 382.8832
MdlNumber: MFCD00672869
Smiles: CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
Complexity: 569
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 5.2
CatalogNumber:
AI56551
ChemicalName:
ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate
CasNumber:
79794-75-5
MolecularFormula:
C22H23ClN2O2
MolecularWeight:
382.8832
MdlNumber:
MFCD00672869
Smiles:
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
Complexity:
569
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
5.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CNc2c(C1)cccc2.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NC1CNc2c(C1)cccc2.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AI56555
ChemicalName: 3-(2,4-Dichlorophenyl)phenol
CasNumber: 79881-30-4
MolecularFormula: C12H8Cl2O
MolecularWeight: 239.0973
MdlNumber: MFCD11574826
Smiles: Clc1ccc(c(c1)Cl)c1cccc(c1)O
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 4.9
CatalogNumber:
AI56555
ChemicalName:
3-(2,4-Dichlorophenyl)phenol
CasNumber:
79881-30-4
MolecularFormula:
C12H8Cl2O
MolecularWeight:
239.0973
MdlNumber:
MFCD11574826
Smiles:
Clc1ccc(c(c1)Cl)c1cccc(c1)O
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1Cl)c1cn2c(n1)sc1c2cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1Cl)c1cn2c(n1)sc1c2cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__