AB34256
28587-05-5 | (2E)-1-(4-Chlorophenyl)-3-(dimethylamino)prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AB34256
ChemicalName
(2E)-1-(4-Chlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CasNumber
28587-05-5
MolecularFormula
C11H12ClNO
MolecularWeight
209.6721
MdlNumber
MFCD00172116
Smiles
CN(C=CC(=O)c1ccc(cc1)Cl)C
Complexity
217
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AB34256
ChemicalName: (2E)-1-(4-Chlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CasNumber: 28587-05-5
MolecularFormula: C11H12ClNO
MolecularWeight: 209.6721
MdlNumber: MFCD00172116
Smiles: CN(C=CC(=O)c1ccc(cc1)Cl)C
Complexity: 217
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB34256
ChemicalName:
(2E)-1-(4-Chlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CasNumber:
28587-05-5
MolecularFormula:
C11H12ClNO
MolecularWeight:
209.6721
MdlNumber:
MFCD00172116
Smiles:
CN(C=CC(=O)c1ccc(cc1)Cl)C
Complexity:
217
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.6
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Smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=S
Complexity: __
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Smiles:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=S
Complexity:
__
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Smiles: C1N=C2N(C1)C1=NCCN1C1=NCCN21
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Smiles:
C1N=C2N(C1)C1=NCCN1C1=NCCN21
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCc1ccc(cc1O)NC(=O)C
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
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MolecularFormula:
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Smiles:
CCCc1ccc(cc1O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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