AA66048
1477-19-6 | Benzarone
Manufacturer: A2B Chem
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CatalogNumber
AA66048
ChemicalName
Benzarone
CasNumber
1477-19-6
MolecularFormula
C17H14O3
MolecularWeight
266.29126
MdlNumber
MFCD00867417
Smiles
CCc1oc2c(c1C(=O)c1ccc(cc1)O)cccc2
NscNumber
82134
Complexity
346
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.3
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CatalogNumber: AA66048
ChemicalName: Benzarone
CasNumber: 1477-19-6
MolecularFormula: C17H14O3
MolecularWeight: 266.29126
MdlNumber: MFCD00867417
Smiles: CCc1oc2c(c1C(=O)c1ccc(cc1)O)cccc2
NscNumber: 82134
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.3
CatalogNumber:
AA66048
ChemicalName:
Benzarone
CasNumber:
1477-19-6
MolecularFormula:
C17H14O3
MolecularWeight:
266.29126
MdlNumber:
MFCD00867417
Smiles:
CCc1oc2c(c1C(=O)c1ccc(cc1)O)cccc2
NscNumber:
82134
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O.[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
[O-]C(=O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O.[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC[Sn](c1cncn1C)(CCCC)CCCC
NscNumber: __
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC[Sn](c1cncn1C)(CCCC)CCCC
NscNumber:
__
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CC(=O)c2c(S1)ccc(c2)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CC(=O)c2c(S1)ccc(c2)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__