AI09065
112811-65-1 | 3-Methoxy-2,4,5-trifluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI09065
ChemicalName
3-Methoxy-2,4,5-trifluorobenzoic acid
CasNumber
112811-65-1
MolecularFormula
C8H5F3O3
MolecularWeight
206.1187
MdlNumber
MFCD00153201
Smiles
COC1=C(C(=CC(=C1F)F)C(=O)O)F
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AI09065
ChemicalName: 3-Methoxy-2,4,5-trifluorobenzoic acid
CasNumber: 112811-65-1
MolecularFormula: C8H5F3O3
MolecularWeight: 206.1187
MdlNumber: MFCD00153201
Smiles: COC1=C(C(=CC(=C1F)F)C(=O)O)F
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AI09065
ChemicalName:
3-Methoxy-2,4,5-trifluorobenzoic acid
CasNumber:
112811-65-1
MolecularFormula:
C8H5F3O3
MolecularWeight:
206.1187
MdlNumber:
MFCD00153201
Smiles:
COC1=C(C(=CC(=C1F)F)C(=O)O)F
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AI09066
ChemicalName: 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
CasNumber: 112811-72-0
MolecularFormula: C14H11F2NO4
MolecularWeight: 295.2382
MdlNumber: MFCD05864420
Smiles: COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
Complexity: 505
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AI09066
ChemicalName:
1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
CasNumber:
112811-72-0
MolecularFormula:
C14H11F2NO4
MolecularWeight:
295.2382
MdlNumber:
MFCD05864420
Smiles:
COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
Complexity:
505
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
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Smiles: Clc1c(O)ccn(c1=O)CC1CC1
Complexity: __
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Smiles:
Clc1c(O)ccn(c1=O)CC1CC1
Complexity:
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Smiles: CCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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