AI53027
581778-88-3 | Ethyl (2E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AI53027
ChemicalName
Ethyl (2E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CasNumber
581778-88-3
MolecularFormula
C11H10BrFO2
MolecularWeight
273.0983
MdlNumber
MFCD22124739
Smiles
CCOC(=O)/C=C/c1ccc(cc1F)Br
Complexity
243
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.4
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CatalogNumber: AI53027
ChemicalName: Ethyl (2E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CasNumber: 581778-88-3
MolecularFormula: C11H10BrFO2
MolecularWeight: 273.0983
MdlNumber: MFCD22124739
Smiles: CCOC(=O)/C=C/c1ccc(cc1F)Br
Complexity: 243
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AI53027
ChemicalName:
Ethyl (2E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CasNumber:
581778-88-3
MolecularFormula:
C11H10BrFO2
MolecularWeight:
273.0983
MdlNumber:
MFCD22124739
Smiles:
CCOC(=O)/C=C/c1ccc(cc1F)Br
Complexity:
243
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCOc1ccc(cc1OC)C=CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCOc1ccc(cc1OC)C=CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI53030
ChemicalName: 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CasNumber: 58186-27-9
MolecularFormula: C19H30O5
MolecularWeight: 338.4385
MdlNumber: MFCD00274552
Smiles: OCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC
Complexity: 502
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
RotatableBondCount: 12
Xlogp3: 4.3
CatalogNumber:
AI53030
ChemicalName:
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CasNumber:
58186-27-9
MolecularFormula:
C19H30O5
MolecularWeight:
338.4385
MdlNumber:
MFCD00274552
Smiles:
OCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC
Complexity:
502
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
RotatableBondCount:
12
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC=C(C(=C1)C=CCBr)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C(C(=C1)C=CCBr)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__