AH85026
886762-23-8 | 2,4,6-Trifluoro-3,5-dimethylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH85026
ChemicalName
2,4,6-Trifluoro-3,5-dimethylbenzoic acid
CasNumber
886762-23-8
MolecularFormula
C9H7F3O2
MolecularWeight
204.14588959999992
MdlNumber
MFCD04039199
Smiles
OC(=O)c1c(F)c(C)c(c(c1F)C)F
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AH85026
ChemicalName: 2,4,6-Trifluoro-3,5-dimethylbenzoic acid
CasNumber: 886762-23-8
MolecularFormula: C9H7F3O2
MolecularWeight: 204.14588959999992
MdlNumber: MFCD04039199
Smiles: OC(=O)c1c(F)c(C)c(c(c1F)C)F
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AH85026
ChemicalName:
2,4,6-Trifluoro-3,5-dimethylbenzoic acid
CasNumber:
886762-23-8
MolecularFormula:
C9H7F3O2
MolecularWeight:
204.14588959999992
MdlNumber:
MFCD04039199
Smiles:
OC(=O)c1c(F)c(C)c(c(c1F)C)F
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
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Smiles: O=C1CNCCC1C
Complexity: __
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Smiles:
O=C1CNCCC1C
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RotatableBondCount:
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Smiles: Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F.Cl
Complexity: __
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Smiles:
Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F.Cl
Complexity:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)C(=O)[CH-]C#N.[K+]
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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:
CCOC(=O)C(=O)[CH-]C#N.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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