AI50541
445019-47-6 | 3-Bromo-5-fluoro-4-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI50541
ChemicalName
3-Bromo-5-fluoro-4-methoxybenzoic acid
CasNumber
445019-47-6
MolecularFormula
C8H6BrFO3
MolecularWeight
249.0338
MdlNumber
MFCD24107164
Smiles
COc1c(F)cc(cc1Br)C(=O)O
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AI50541
ChemicalName: 3-Bromo-5-fluoro-4-methoxybenzoic acid
CasNumber: 445019-47-6
MolecularFormula: C8H6BrFO3
MolecularWeight: 249.0338
MdlNumber: MFCD24107164
Smiles: COc1c(F)cc(cc1Br)C(=O)O
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AI50541
ChemicalName:
3-Bromo-5-fluoro-4-methoxybenzoic acid
CasNumber:
445019-47-6
MolecularFormula:
C8H6BrFO3
MolecularWeight:
249.0338
MdlNumber:
MFCD24107164
Smiles:
COc1c(F)cc(cc1Br)C(=O)O
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CSc1nc(N(C)C)c(c(n1)Cl)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CSc1nc(N(C)C)c(c(n1)Cl)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CC(=O)OC[C@H]1O[C@@H](Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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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Smiles:
CC(=O)OC[C@H]1O[C@@H](Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: CCOC(=O)C1CN(CCC1=O)C(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1CN(CCC1=O)C(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__