AC41521
779320-20-6 | 4-(4-Chloro-phenyl)-thiazole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC41521
ChemicalName
4-(4-Chloro-phenyl)-thiazole-2-carboxylic acid
CasNumber
779320-20-6
MolecularFormula
C10H6ClNO2S
MolecularWeight
239.6781
MdlNumber
MFCD07375211
Smiles
Clc1ccc(cc1)c1csc(n1)C(=O)O
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AC41521
ChemicalName: 4-(4-Chloro-phenyl)-thiazole-2-carboxylic acid
CasNumber: 779320-20-6
MolecularFormula: C10H6ClNO2S
MolecularWeight: 239.6781
MdlNumber: MFCD07375211
Smiles: Clc1ccc(cc1)c1csc(n1)C(=O)O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AC41521
ChemicalName:
4-(4-Chloro-phenyl)-thiazole-2-carboxylic acid
CasNumber:
779320-20-6
MolecularFormula:
C10H6ClNO2S
MolecularWeight:
239.6781
MdlNumber:
MFCD07375211
Smiles:
Clc1ccc(cc1)c1csc(n1)C(=O)O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OCCc2c(N1)c(C)no2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OCCc2c(N1)c(C)no2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=NC21CCCC2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=NC21CCCC2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC41530
ChemicalName: N,N-Diethyl-2-nitrobenzenesulfonamide
CasNumber: 77925-51-0
MolecularFormula: C10H14N2O4S
MolecularWeight: 258.2942
MdlNumber: MFCD00577600
Smiles: CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC
Complexity: 354
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AC41530
ChemicalName:
N,N-Diethyl-2-nitrobenzenesulfonamide
CasNumber:
77925-51-0
MolecularFormula:
C10H14N2O4S
MolecularWeight:
258.2942
MdlNumber:
MFCD00577600
Smiles:
CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC
Complexity:
354
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.7