AD50012
104224-68-2 | 2-Adamantyl-4-bromophenol
Manufacturer: A2B Chem
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CatalogNumber
AD50012
ChemicalName
2-Adamantyl-4-bromophenol
CasNumber
104224-68-2
MolecularFormula
C16H19BrO
MolecularWeight
307.2255
MdlNumber
MFCD00169077
Smiles
Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)Br
Complexity
299
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
5.7
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CatalogNumber: AD50012
ChemicalName: 2-Adamantyl-4-bromophenol
CasNumber: 104224-68-2
MolecularFormula: C16H19BrO
MolecularWeight: 307.2255
MdlNumber: MFCD00169077
Smiles: Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)Br
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 5.7
CatalogNumber:
AD50012
ChemicalName:
2-Adamantyl-4-bromophenol
CasNumber:
104224-68-2
MolecularFormula:
C16H19BrO
MolecularWeight:
307.2255
MdlNumber:
MFCD00169077
Smiles:
Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)Br
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
5.7
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MolecularFormula: __
MolecularWeight: __
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Smiles: Cc1ccc(cc1/C=C1/SC(=NC1=O)S)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1ccc(cc1/C=C1/SC(=NC1=O)S)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COC(=O)c1ccc(nc1)C1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Complexity: __
Covalently-bondedUnitCount: __
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MolecularWeight:
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Smiles:
COC(=O)c1ccc(nc1)C1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CSc1c(ccc(c1Cl)Cl)C(=O)CC(=O)C1CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
CSc1c(ccc(c1Cl)Cl)C(=O)CC(=O)C1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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