AE11394
1047630-61-4 | 5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE11394
ChemicalName
5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid
CasNumber
1047630-61-4
MolecularFormula
C9H6Cl2N2O2S
MolecularWeight
277.1271
MdlNumber
MFCD28385904
Smiles
Clc1sc(cc1c1c(Cl)cnn1C)C(=O)O
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AE11394
ChemicalName: 5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid
CasNumber: 1047630-61-4
MolecularFormula: C9H6Cl2N2O2S
MolecularWeight: 277.1271
MdlNumber: MFCD28385904
Smiles: Clc1sc(cc1c1c(Cl)cnn1C)C(=O)O
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AE11394
ChemicalName:
5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid
CasNumber:
1047630-61-4
MolecularFormula:
C9H6Cl2N2O2S
MolecularWeight:
277.1271
MdlNumber:
MFCD28385904
Smiles:
Clc1sc(cc1c1c(Cl)cnn1C)C(=O)O
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
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Smiles: CC(C1CCN(CC1)C(=O)OC(C)(C)C)OS(=O)(=O)C
Complexity: __
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Smiles:
CC(C1CCN(CC1)C(=O)OC(C)(C)C)OS(=O)(=O)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
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RotatableBondCount:
__
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Smiles: CC(Oc1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
CC(Oc1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1cccc2c1c(=O)[nH]c(n2)CCl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc2c1c(=O)[nH]c(n2)CCl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__