AE28495
1092460-83-7 | 5-Fluoro-2-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE28495
ChemicalName
5-Fluoro-2-(trifluoromethoxy)benzoic acid
CasNumber
1092460-83-7
MolecularFormula
C8H4F4O3
MolecularWeight
224.1092
MdlNumber
MFCD11519333
Smiles
Fc1ccc(c(c1)C(=O)O)OC(F)(F)F
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AE28495
ChemicalName: 5-Fluoro-2-(trifluoromethoxy)benzoic acid
CasNumber: 1092460-83-7
MolecularFormula: C8H4F4O3
MolecularWeight: 224.1092
MdlNumber: MFCD11519333
Smiles: Fc1ccc(c(c1)C(=O)O)OC(F)(F)F
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AE28495
ChemicalName:
5-Fluoro-2-(trifluoromethoxy)benzoic acid
CasNumber:
1092460-83-7
MolecularFormula:
C8H4F4O3
MolecularWeight:
224.1092
MdlNumber:
MFCD11519333
Smiles:
Fc1ccc(c(c1)C(=O)O)OC(F)(F)F
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Nc1cc(C)c(c(c1)Br)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1cc(C)c(c(c1)Br)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=Cc1cc(c(cc1c1ccc(cc1)N(c1ccccc1)c1ccccc1)C=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=Cc1cc(c(cc1c1ccc(cc1)N(c1ccccc1)c1ccccc1)C=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CN1c2ccccc2C(C21C=Nc1c(O2)cc(c2c1cccc2)N1CCOCC1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1c2ccccc2C(C21C=Nc1c(O2)cc(c2c1cccc2)N1CCOCC1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__