AI50720
4640-66-8 | 4-Chlorobenzoylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI50720
ChemicalName
4-Chlorobenzoylacetonitrile
CasNumber
4640-66-8
MolecularFormula
C9H6ClNO
MolecularWeight
179.60304000000002
MdlNumber
MFCD00051625
Smiles
N#CCC(=O)c1ccc(cc1)Cl
Complexity
210
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AI50720
ChemicalName: 4-Chlorobenzoylacetonitrile
CasNumber: 4640-66-8
MolecularFormula: C9H6ClNO
MolecularWeight: 179.60304000000002
MdlNumber: MFCD00051625
Smiles: N#CCC(=O)c1ccc(cc1)Cl
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AI50720
ChemicalName:
4-Chlorobenzoylacetonitrile
CasNumber:
4640-66-8
MolecularFormula:
C9H6ClNO
MolecularWeight:
179.60304000000002
MdlNumber:
MFCD00051625
Smiles:
N#CCC(=O)c1ccc(cc1)Cl
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)C(=C)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)C(=C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@H](c1ccc2c(c1)OCO2)N.Cl
Complexity: 246
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@H](c1ccc2c(c1)OCO2)N.Cl
Complexity:
246
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI50723
ChemicalName: Bufalin
CasNumber: 465-21-4
MolecularFormula: C23H32O4
MolecularWeight: 372.4978
MdlNumber: MFCD00056525
Smiles: O[C@H]1CC[C@H]2[C@@H](C1)CC[C@H]1[C@@H]2CC[C@]2([C@@]1(O)CC[C@H]2c1ccc(=O)oc1)C
Complexity: 741
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AI50723
ChemicalName:
Bufalin
CasNumber:
465-21-4
MolecularFormula:
C23H32O4
MolecularWeight:
372.4978
MdlNumber:
MFCD00056525
Smiles:
O[C@H]1CC[C@H]2[C@@H](C1)CC[C@H]1[C@@H]2CC[C@]2([C@@]1(O)CC[C@H]2c1ccc(=O)oc1)C
Complexity:
741
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
3.2