AA25705
123040-79-9 | 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxanine-8-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA25705
ChemicalName
6-Chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxanine-8-carboxylic acid
CasNumber
123040-79-9
MolecularFormula
C10H8ClNO4
MolecularWeight
241.6278
MdlNumber
MFCD09031399
Smiles
Clc1cc2N(C)C(=O)COc2c(c1)C(=O)O
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AA25705
ChemicalName: 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxanine-8-carboxylic acid
CasNumber: 123040-79-9
MolecularFormula: C10H8ClNO4
MolecularWeight: 241.6278
MdlNumber: MFCD09031399
Smiles: Clc1cc2N(C)C(=O)COc2c(c1)C(=O)O
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AA25705
ChemicalName:
6-Chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxanine-8-carboxylic acid
CasNumber:
123040-79-9
MolecularFormula:
C10H8ClNO4
MolecularWeight:
241.6278
MdlNumber:
MFCD09031399
Smiles:
Clc1cc2N(C)C(=O)COc2c(c1)C(=O)O
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COC(=O)c1cc(Cl)cc2c1OCC(=O)N2
Complexity: __
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HeavyAtomCount: __
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Smiles:
COC(=O)c1cc(Cl)cc2c1OCC(=O)N2
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: Clc1cc2N(C)C(=O)COc2c(c1)C(=O)NC1CN2CCC1CC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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Xlogp3: __
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MolecularWeight:
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Smiles:
Clc1cc2N(C)C(=O)COc2c(c1)C(=O)NC1CN2CCC1CC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1COc2c(N1)cc(cc2C(=O)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1COc2c(N1)cc(cc2C(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__