AB33645
290326-23-7 | Sodium 4-(5-chlorothiophen-2-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB33645
ChemicalName
Sodium 4-(5-chlorothiophen-2-yl)benzoate
CasNumber
290326-23-7
MolecularFormula
C11H6ClNaO2S
MolecularWeight
260.6719
MdlNumber
MFCD11977459
Smiles
[O-]C(=O)c1ccc(cc1)c1ccc(s1)Cl.[Na+]
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.8
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CatalogNumber: AB33645
ChemicalName: Sodium 4-(5-chlorothiophen-2-yl)benzoate
CasNumber: 290326-23-7
MolecularFormula: C11H6ClNaO2S
MolecularWeight: 260.6719
MdlNumber: MFCD11977459
Smiles: [O-]C(=O)c1ccc(cc1)c1ccc(s1)Cl.[Na+]
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AB33645
ChemicalName:
Sodium 4-(5-chlorothiophen-2-yl)benzoate
CasNumber:
290326-23-7
MolecularFormula:
C11H6ClNaO2S
MolecularWeight:
260.6719
MdlNumber:
MFCD11977459
Smiles:
[O-]C(=O)c1ccc(cc1)c1ccc(s1)Cl.[Na+]
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.8
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Smiles: OC(=O)CCCc1cc(F)ccc1[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)c1cc(F)ccc1F)C
Complexity: __
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Smiles:
OC(=O)CCCc1cc(F)ccc1[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)c1cc(F)ccc1F)C
Complexity:
__
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Smiles: CC1NCCN(C1)Cc1ccccc1.OC(=O)C=CC(=O)O.OC(=O)C=CC(=O)O
Complexity: __
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Smiles:
CC1NCCN(C1)Cc1ccccc1.OC(=O)C=CC(=O)O.OC(=O)C=CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Nc1cccnc1NC1CC1
Complexity: __
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MolecularFormula:
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Smiles:
Nc1cccnc1NC1CC1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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