AA53423
121602-93-5 | 3,4,5-Trifluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA53423
ChemicalName
3,4,5-Trifluorobenzoic acid
CasNumber
121602-93-5
MolecularFormula
C7H3F3O2
MolecularWeight
176.0927
MdlNumber
MFCD00074962
Smiles
OC(=O)c1cc(F)c(c(c1)F)F
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AA53423
ChemicalName: 3,4,5-Trifluorobenzoic acid
CasNumber: 121602-93-5
MolecularFormula: C7H3F3O2
MolecularWeight: 176.0927
MdlNumber: MFCD00074962
Smiles: OC(=O)c1cc(F)c(c(c1)F)F
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AA53423
ChemicalName:
3,4,5-Trifluorobenzoic acid
CasNumber:
121602-93-5
MolecularFormula:
C7H3F3O2
MolecularWeight:
176.0927
MdlNumber:
MFCD00074962
Smiles:
OC(=O)c1cc(F)c(c(c1)F)F
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
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MolecularFormula: __
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Smiles: CCCCn1c2ccc(cc2c2c1ccc(c2)Br)Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCn1c2ccc(cc2c2c1ccc(c2)Br)Br
Complexity:
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RotatableBondCount:
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Smiles: C=CC(=O)OC12CC3CC(C2)CC(C1)C3
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Smiles:
C=CC(=O)OC12CC3CC(C2)CC(C1)C3
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__