AI04639
955372-86-8 | 3-Bromo-5-fluoroisonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI04639
ChemicalName
3-Bromo-5-fluoroisonicotinic acid
CasNumber
955372-86-8
MolecularFormula
C6H3BrFNO2
MolecularWeight
219.9959
MdlNumber
MFCD13181633
Smiles
OC(=O)c1c(F)cncc1Br
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AI04639
ChemicalName: 3-Bromo-5-fluoroisonicotinic acid
CasNumber: 955372-86-8
MolecularFormula: C6H3BrFNO2
MolecularWeight: 219.9959
MdlNumber: MFCD13181633
Smiles: OC(=O)c1c(F)cncc1Br
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AI04639
ChemicalName:
3-Bromo-5-fluoroisonicotinic acid
CasNumber:
955372-86-8
MolecularFormula:
C6H3BrFNO2
MolecularWeight:
219.9959
MdlNumber:
MFCD13181633
Smiles:
OC(=O)c1c(F)cncc1Br
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCCCOc1c(Cl)cc(cc1OC)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCOc1c(Cl)cc(cc1OC)C(=O)O
Complexity:
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Smiles: C=CS(=O)(=O)c1ccc(cc1)C(=O)O
Complexity: __
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Smiles:
C=CS(=O)(=O)c1ccc(cc1)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Oc1ccc(cc1)CC1CCCNC1
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HydrogenBondAcceptorCount: __
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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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MdlNumber:
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Smiles:
Oc1ccc(cc1)CC1CCCNC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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