AE33317
139911-30-1 | 2-Chloro-5-fluoronicotinic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AE33317
ChemicalName
2-Chloro-5-fluoronicotinic acid ethyl ester
CasNumber
139911-30-1
MolecularFormula
C8H7ClFNO2
MolecularWeight
203.5981
MdlNumber
MFCD23103604
Smiles
CCOC(=O)c1cc(F)cnc1Cl
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AE33317
ChemicalName: 2-Chloro-5-fluoronicotinic acid ethyl ester
CasNumber: 139911-30-1
MolecularFormula: C8H7ClFNO2
MolecularWeight: 203.5981
MdlNumber: MFCD23103604
Smiles: CCOC(=O)c1cc(F)cnc1Cl
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AE33317
ChemicalName:
2-Chloro-5-fluoronicotinic acid ethyl ester
CasNumber:
139911-30-1
MolecularFormula:
C8H7ClFNO2
MolecularWeight:
203.5981
MdlNumber:
MFCD23103604
Smiles:
CCOC(=O)c1cc(F)cnc1Cl
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C1=CC(=C(C=C1N)O)C(=O)[O-].C1=CC(=C(C=C1N)O)C(=O)[O-].[Mg+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C1=CC(=C(C=C1N)O)C(=O)[O-].C1=CC(=C(C=C1N)O)C(=O)[O-].[Mg+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.N[C@@H]1C[C@H]1c1ccccc1.N[C@@H]1C[C@H]1c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.N[C@@H]1C[C@H]1c1ccccc1.N[C@@H]1C[C@H]1c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OC1C2(C)CCC(C1(C)C)C2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC1C2(C)CCC(C1(C)C)C2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__