AI83418
53940-12-8 | (2E)-3-Phenyl-1-(pyridin-2-yl)prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI83418
ChemicalName
(2E)-3-Phenyl-1-(pyridin-2-yl)prop-2-en-1-one
CasNumber
53940-12-8
MolecularFormula
C14H11NO
MolecularWeight
209.2432
MdlNumber
MFCD08719421
Smiles
O=C(c1ccccn1)/C=C/c1ccccc1
Complexity
254
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AI83418
ChemicalName: (2E)-3-Phenyl-1-(pyridin-2-yl)prop-2-en-1-one
CasNumber: 53940-12-8
MolecularFormula: C14H11NO
MolecularWeight: 209.2432
MdlNumber: MFCD08719421
Smiles: O=C(c1ccccn1)/C=C/c1ccccc1
Complexity: 254
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AI83418
ChemicalName:
(2E)-3-Phenyl-1-(pyridin-2-yl)prop-2-en-1-one
CasNumber:
53940-12-8
MolecularFormula:
C14H11NO
MolecularWeight:
209.2432
MdlNumber:
MFCD08719421
Smiles:
O=C(c1ccccn1)/C=C/c1ccccc1
Complexity:
254
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1CC1c1ccccc1)c1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(C1CC1c1ccccc1)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Clc1ccc(cc1)Nc1ccnc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
Clc1ccc(cc1)Nc1ccnc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(/C=C/C(=CC(=O)C(F)(F)F)NC1CCCCC1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(/C=C/C(=CC(=O)C(F)(F)F)NC1CCCCC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__