AG69122
623585-74-0 | Methyl 2,5-dichloroisonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AG69122
ChemicalName
Methyl 2,5-dichloroisonicotinate
CasNumber
623585-74-0
MolecularFormula
C7H5Cl2NO2
MolecularWeight
206.0261
MdlNumber
MFCD09951944
Smiles
COC(=O)c1cc(Cl)ncc1Cl
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AG69122
ChemicalName: Methyl 2,5-dichloroisonicotinate
CasNumber: 623585-74-0
MolecularFormula: C7H5Cl2NO2
MolecularWeight: 206.0261
MdlNumber: MFCD09951944
Smiles: COC(=O)c1cc(Cl)ncc1Cl
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AG69122
ChemicalName:
Methyl 2,5-dichloroisonicotinate
CasNumber:
623585-74-0
MolecularFormula:
C7H5Cl2NO2
MolecularWeight:
206.0261
MdlNumber:
MFCD09951944
Smiles:
COC(=O)c1cc(Cl)ncc1Cl
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.3
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Smiles: NCCCN(CCCCN(CCCN)C)C
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Smiles:
NCCCN(CCCCN(CCCN)C)C
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Smiles: OCC1(O)OC(C(CC1C)C)C1CC(C2(O1)OC(CC(C2C)OC1CCC(C(O1)C)OC)C1(C)CCC2(O1)CC(O)C(C(O2)C(C=C(C(=O)C(CC(C(=O)[O-])C)C)C)C)C)C.[Na+]
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Smiles:
OCC1(O)OC(C(CC1C)C)C1CC(C2(O1)OC(CC(C2C)OC1CCC(C(O1)C)OC)C1(C)CCC2(O1)CC(O)C(C(O2)C(C=C(C(=O)C(CC(C(=O)[O-])C)C)C)C)C)C.[Na+]
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Smiles: OCC1(CO)CCCC1
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Smiles:
OCC1(CO)CCCC1
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HydrogenBondAcceptorCount:
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