AF35708
27914-56-3 | 4-(2,2,2-Trifluoroethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF35708
ChemicalName
4-(2,2,2-Trifluoroethoxy)benzoic acid
CasNumber
27914-56-3
MolecularFormula
C9H7F3O3
MolecularWeight
220.1453
MdlNumber
MFCD05669500
Smiles
OC(=O)c1ccc(cc1)OCC(F)(F)F
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AF35708
ChemicalName: 4-(2,2,2-Trifluoroethoxy)benzoic acid
CasNumber: 27914-56-3
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD05669500
Smiles: OC(=O)c1ccc(cc1)OCC(F)(F)F
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AF35708
ChemicalName:
4-(2,2,2-Trifluoroethoxy)benzoic acid
CasNumber:
27914-56-3
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD05669500
Smiles:
OC(=O)c1ccc(cc1)OCC(F)(F)F
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: Brc1nccc(c1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1nccc(c1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCCCCCCCN1C(=O)c2ccc3c4c2c(C1=O)cc(c4c1c2c3c(Br)cc3c2c(cc1)C(=O)N(C3=O)CCCCCCCC)Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
CCCCCCCCN1C(=O)c2ccc3c4c2c(C1=O)cc(c4c1c2c3c(Br)cc3c2c(cc1)C(=O)N(C3=O)CCCCCCCC)Br
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: O=C(c1cnccn1)Nc1ccccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cnccn1)Nc1ccccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__