AC64919
78089-99-3 | (2E)-3-(Dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AC64919
ChemicalName
(2E)-3-(Dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one
CasNumber
78089-99-3
MolecularFormula
C11H12N2O3
MolecularWeight
220.2246
MdlNumber
MFCD00121191
Smiles
CN(/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-])C
Complexity
286
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AC64919
ChemicalName: (2E)-3-(Dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one
CasNumber: 78089-99-3
MolecularFormula: C11H12N2O3
MolecularWeight: 220.2246
MdlNumber: MFCD00121191
Smiles: CN(/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-])C
Complexity: 286
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AC64919
ChemicalName:
(2E)-3-(Dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one
CasNumber:
78089-99-3
MolecularFormula:
C11H12N2O3
MolecularWeight:
220.2246
MdlNumber:
MFCD00121191
Smiles:
CN(/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-])C
Complexity:
286
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.9
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Smiles: CCCCN(SSSCN(c1cccc2c1OC(C2)(C)C)C(=O)[O-])CCCC
Complexity: __
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Smiles:
CCCCN(SSSCN(c1cccc2c1OC(C2)(C)C)C(=O)[O-])CCCC
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Smiles: N#Cc1ncccc1N1CCCCC1
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N#Cc1ncccc1N1CCCCC1
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Smiles: CC1CNC(c2n1c(nn2)C(F)(F)F)C
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC1CNC(c2n1c(nn2)C(F)(F)F)C
Complexity:
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Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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