AB65561
637027-41-9 | Methyl 5-chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB65561
ChemicalName
Methyl 5-chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CasNumber
637027-41-9
MolecularFormula
C12H10ClNO4
MolecularWeight
267.6651
MdlNumber
MFCD09032505
Smiles
COC(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C
Complexity
420
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AB65561
ChemicalName: Methyl 5-chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CasNumber: 637027-41-9
MolecularFormula: C12H10ClNO4
MolecularWeight: 267.6651
MdlNumber: MFCD09032505
Smiles: COC(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C
Complexity: 420
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB65561
ChemicalName:
Methyl 5-chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CasNumber:
637027-41-9
MolecularFormula:
C12H10ClNO4
MolecularWeight:
267.6651
MdlNumber:
MFCD09032505
Smiles:
COC(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C
Complexity:
420
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: OC1CN2CCC1CC2.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC1CN2CCC1CC2.Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: NC(=N)SCCCS(=O)(=O)O
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Smiles:
NC(=N)SCCCS(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(OC(C)(C)C)Oc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 425
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)Oc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
425
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__