AI59093
882873-84-9 | (2E)-3-(Dimethylamino)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI59093
ChemicalName
(2E)-3-(Dimethylamino)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CasNumber
882873-84-9
MolecularFormula
C12H12F3NO
MolecularWeight
243.22498959999996
MdlNumber
MFCD01570013
Smiles
CN(/C=C/C(=O)c1ccc(cc1)C(F)(F)F)C
Complexity
289
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AI59093
ChemicalName: (2E)-3-(Dimethylamino)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CasNumber: 882873-84-9
MolecularFormula: C12H12F3NO
MolecularWeight: 243.22498959999996
MdlNumber: MFCD01570013
Smiles: CN(/C=C/C(=O)c1ccc(cc1)C(F)(F)F)C
Complexity: 289
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AI59093
ChemicalName:
(2E)-3-(Dimethylamino)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CasNumber:
882873-84-9
MolecularFormula:
C12H12F3NO
MolecularWeight:
243.22498959999996
MdlNumber:
MFCD01570013
Smiles:
CN(/C=C/C(=O)c1ccc(cc1)C(F)(F)F)C
Complexity:
289
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
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Smiles: OCc1cc2c([nH]1)cncc2
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Smiles:
OCc1cc2c([nH]1)cncc2
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Smiles: N#Cc1ccc2c(c1)ncnc2O
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N#Cc1ccc2c(c1)ncnc2O
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Smiles: CCOC(=O)[C@@H]1COc2c(O1)cccc2
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MolecularWeight:
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Smiles:
CCOC(=O)[C@@H]1COc2c(O1)cccc2
Complexity:
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Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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