AA29089
1246685-28-8 | Methyl 2-chloro-5-(trifluoromethyl)pyridine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA29089
ChemicalName
Methyl 2-chloro-5-(trifluoromethyl)pyridine-4-carboxylate
CasNumber
1246685-28-8
MolecularFormula
C8H5ClF3NO2
MolecularWeight
239.579
MdlNumber
MFCD18258738
Smiles
COC(=O)c1cc(Cl)ncc1C(F)(F)F
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AA29089
ChemicalName: Methyl 2-chloro-5-(trifluoromethyl)pyridine-4-carboxylate
CasNumber: 1246685-28-8
MolecularFormula: C8H5ClF3NO2
MolecularWeight: 239.579
MdlNumber: MFCD18258738
Smiles: COC(=O)c1cc(Cl)ncc1C(F)(F)F
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AA29089
ChemicalName:
Methyl 2-chloro-5-(trifluoromethyl)pyridine-4-carboxylate
CasNumber:
1246685-28-8
MolecularFormula:
C8H5ClF3NO2
MolecularWeight:
239.579
MdlNumber:
MFCD18258738
Smiles:
COC(=O)c1cc(Cl)ncc1C(F)(F)F
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: O=Cc1cc(n(c1C)c1ccccc1OC)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=Cc1cc(n(c1C)c1ccccc1OC)C
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC[C@H]1CC=CC[C@H]1NC(=O)OCc1ccccc1
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HydrogenBondAcceptorCount: __
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__
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MolecularFormula:
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Smiles:
OC[C@H]1CC=CC[C@H]1NC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: NC(C(=O)O)NC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(C(=O)O)NC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__