AB73589
31891-06-2 | Ethyl 2-aminothiophene-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB73589
ChemicalName
Ethyl 2-aminothiophene-3-carboxylate
CasNumber
31891-06-2
MolecularFormula
C7H9NO2S
MolecularWeight
171.21685999999997
MdlNumber
MFCD01566303
Smiles
CCOC(=O)c1ccsc1N
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AB73589
ChemicalName: Ethyl 2-aminothiophene-3-carboxylate
CasNumber: 31891-06-2
MolecularFormula: C7H9NO2S
MolecularWeight: 171.21685999999997
MdlNumber: MFCD01566303
Smiles: CCOC(=O)c1ccsc1N
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB73589
ChemicalName:
Ethyl 2-aminothiophene-3-carboxylate
CasNumber:
31891-06-2
MolecularFormula:
C7H9NO2S
MolecularWeight:
171.21685999999997
MdlNumber:
MFCD01566303
Smiles:
CCOC(=O)c1ccsc1N
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(C(=O)C)Cc1ccccc1
Complexity: 242
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(C(=O)C)Cc1ccccc1
Complexity:
242
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AB73591
ChemicalName: Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CasNumber: 72850-79-4
MolecularFormula: C7H5BrF3NO2S
MolecularWeight: 304.0843
MdlNumber: MFCD08166749
Smiles: CCOC(=O)c1sc(nc1C(F)(F)F)Br
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AB73591
ChemicalName:
Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CasNumber:
72850-79-4
MolecularFormula:
C7H5BrF3NO2S
MolecularWeight:
304.0843
MdlNumber:
MFCD08166749
Smiles:
CCOC(=O)c1sc(nc1C(F)(F)F)Br
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: AB73592
ChemicalName: Ethyl 2-bromo-5-fluorobenzoate
CasNumber: 139911-28-7
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD06204688
Smiles: CCOC(=O)c1cc(F)ccc1Br
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB73592
ChemicalName:
Ethyl 2-bromo-5-fluorobenzoate
CasNumber:
139911-28-7
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD06204688
Smiles:
CCOC(=O)c1cc(F)ccc1Br
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.9