AF84687
34576-94-8 | 3,6-Dichloro-1-benzothiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF84687
ChemicalName
3,6-Dichloro-1-benzothiophene-2-carboxylic acid
CasNumber
34576-94-8
MolecularFormula
C9H4Cl2O2S
MolecularWeight
247.0979
MdlNumber
MFCD00781745
Smiles
Clc1ccc2c(c1)sc(c2Cl)C(=O)O
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
4.1
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CatalogNumber: AF84687
ChemicalName: 3,6-Dichloro-1-benzothiophene-2-carboxylic acid
CasNumber: 34576-94-8
MolecularFormula: C9H4Cl2O2S
MolecularWeight: 247.0979
MdlNumber: MFCD00781745
Smiles: Clc1ccc2c(c1)sc(c2Cl)C(=O)O
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 4.1
CatalogNumber:
AF84687
ChemicalName:
3,6-Dichloro-1-benzothiophene-2-carboxylic acid
CasNumber:
34576-94-8
MolecularFormula:
C9H4Cl2O2S
MolecularWeight:
247.0979
MdlNumber:
MFCD00781745
Smiles:
Clc1ccc2c(c1)sc(c2Cl)C(=O)O
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCCCCNC(=O)CCl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCNC(=O)CCl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: O=C(Nc1cccc(c1)[N+](=O)[O-])OCC(F)(F)F
Complexity: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(Nc1cccc(c1)[N+](=O)[O-])OCC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(n(c1C)c1ccc(cc1)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(n(c1C)c1ccc(cc1)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__