AD17779
65300-30-3 | (3E)-4-(3-Bromophenyl)but-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AD17779
ChemicalName
(3E)-4-(3-Bromophenyl)but-3-en-2-one
CasNumber
65300-30-3
MolecularFormula
C10H9BrO
MolecularWeight
225.0819
MdlNumber
MFCD11845757
Smiles
CC(=O)/C=C/c1cccc(c1)Br
Complexity
186
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AD17779
ChemicalName: (3E)-4-(3-Bromophenyl)but-3-en-2-one
CasNumber: 65300-30-3
MolecularFormula: C10H9BrO
MolecularWeight: 225.0819
MdlNumber: MFCD11845757
Smiles: CC(=O)/C=C/c1cccc(c1)Br
Complexity: 186
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AD17779
ChemicalName:
(3E)-4-(3-Bromophenyl)but-3-en-2-one
CasNumber:
65300-30-3
MolecularFormula:
C10H9BrO
MolecularWeight:
225.0819
MdlNumber:
MFCD11845757
Smiles:
CC(=O)/C=C/c1cccc(c1)Br
Complexity:
186
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CC(CC1CCCC1)NCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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Smiles:
CC(CC1CCCC1)NCc1ccccc1
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: [O-][N+](=O)OCCN
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Smiles:
[O-][N+](=O)OCCN
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HydrogenBondAcceptorCount:
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Smiles: OCCNC(C)C.CCCCCCCCCC(=O)O
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MolecularWeight:
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Smiles:
OCCNC(C)C.CCCCCCCCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__