AA66686
1483-47-2 | 2-(Trifluoromethyl)terephthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AA66686
ChemicalName
2-(Trifluoromethyl)terephthalic acid
CasNumber
1483-47-2
MolecularFormula
C9H5F3O4
MolecularWeight
234.1288
MdlNumber
MFCD06208277
Smiles
OC(=O)c1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AA66686
ChemicalName: 2-(Trifluoromethyl)terephthalic acid
CasNumber: 1483-47-2
MolecularFormula: C9H5F3O4
MolecularWeight: 234.1288
MdlNumber: MFCD06208277
Smiles: OC(=O)c1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AA66686
ChemicalName:
2-(Trifluoromethyl)terephthalic acid
CasNumber:
1483-47-2
MolecularFormula:
C9H5F3O4
MolecularWeight:
234.1288
MdlNumber:
MFCD06208277
Smiles:
OC(=O)c1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: N#Cc1cc(C#N)ccc1C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
N#Cc1cc(C#N)ccc1C(F)(F)F
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: BrCCN=C=S
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Smiles:
BrCCN=C=S
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: Clc1nnc(o1)c1ccccc1
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Xlogp3: __
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__
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:
Clc1nnc(o1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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