AE62353
1393444-15-9 | (3E)-4-(3-Bromo-4-ethoxyphenyl)but-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AE62353
ChemicalName
(3E)-4-(3-Bromo-4-ethoxyphenyl)but-3-en-2-one
CasNumber
1393444-15-9
MolecularFormula
C12H13BrO2
MolecularWeight
269.1344
MdlNumber
MFCD22383783
Smiles
CCOc1ccc(cc1Br)/C=C/C(=O)C
Complexity
238
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AE62353
ChemicalName: (3E)-4-(3-Bromo-4-ethoxyphenyl)but-3-en-2-one
CasNumber: 1393444-15-9
MolecularFormula: C12H13BrO2
MolecularWeight: 269.1344
MdlNumber: MFCD22383783
Smiles: CCOc1ccc(cc1Br)/C=C/C(=O)C
Complexity: 238
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AE62353
ChemicalName:
(3E)-4-(3-Bromo-4-ethoxyphenyl)but-3-en-2-one
CasNumber:
1393444-15-9
MolecularFormula:
C12H13BrO2
MolecularWeight:
269.1344
MdlNumber:
MFCD22383783
Smiles:
CCOc1ccc(cc1Br)/C=C/C(=O)C
Complexity:
238
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(Br)c2c(c1)ncn2CC
Complexity: 259
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(Br)c2c(c1)ncn2CC
Complexity:
259
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1cnc2c1ccc(c2)Br.Cl
Complexity: 163
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1cnc2c1ccc(c2)Br.Cl
Complexity:
163
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1c(C)nc2c1c(F)c(c(c2)Br)F
Complexity: 242
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1c(C)nc2c1c(F)c(c(c2)Br)F
Complexity:
242
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3