AD49901
319014-58-9 | 4-(2-Trifluoromethylphenyl)phenol
Manufacturer: A2B Chem
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CatalogNumber
AD49901
ChemicalName
4-(2-Trifluoromethylphenyl)phenol
CasNumber
319014-58-9
MolecularFormula
C13H9F3O
MolecularWeight
238.2052
MdlNumber
MFCD06802343
Smiles
Oc1ccc(cc1)c1ccccc1C(F)(F)F
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
4.1
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CatalogNumber: AD49901
ChemicalName: 4-(2-Trifluoromethylphenyl)phenol
CasNumber: 319014-58-9
MolecularFormula: C13H9F3O
MolecularWeight: 238.2052
MdlNumber: MFCD06802343
Smiles: Oc1ccc(cc1)c1ccccc1C(F)(F)F
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 4.1
CatalogNumber:
AD49901
ChemicalName:
4-(2-Trifluoromethylphenyl)phenol
CasNumber:
319014-58-9
MolecularFormula:
C13H9F3O
MolecularWeight:
238.2052
MdlNumber:
MFCD06802343
Smiles:
Oc1ccc(cc1)c1ccccc1C(F)(F)F
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1nc(Nc2ccccc2)nc(n1)NC1(C=CC(C(C1)(S(=O)(=O)[O-])S(=O)(=O)[O-])C=Cc1ccccc1)Nc1nc(NC)nc(n1)Nc1ccccc1.[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
CNc1nc(Nc2ccccc2)nc(n1)NC1(C=CC(C(C1)(S(=O)(=O)[O-])S(=O)(=O)[O-])C=Cc1ccccc1)Nc1nc(NC)nc(n1)Nc1ccccc1.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(cc1)/C=C(c1cccs1)/C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(cc1)/C=C(c1cccs1)/C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: BrCC[N+]12CCC(CC1)CC2.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC[N+]12CCC(CC1)CC2.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__