AG79801
58842-61-8 | Ethyl benzimidazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG79801
ChemicalName
Ethyl benzimidazole-5-carboxylate
CasNumber
58842-61-8
MolecularFormula
C10H10N2O2
MolecularWeight
190.1986
MdlNumber
MFCD09027455
Smiles
CCOC(=O)c1ccc2c(c1)nc[nH]2
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AG79801
ChemicalName: Ethyl benzimidazole-5-carboxylate
CasNumber: 58842-61-8
MolecularFormula: C10H10N2O2
MolecularWeight: 190.1986
MdlNumber: MFCD09027455
Smiles: CCOC(=O)c1ccc2c(c1)nc[nH]2
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AG79801
ChemicalName:
Ethyl benzimidazole-5-carboxylate
CasNumber:
58842-61-8
MolecularFormula:
C10H10N2O2
MolecularWeight:
190.1986
MdlNumber:
MFCD09027455
Smiles:
CCOC(=O)c1ccc2c(c1)nc[nH]2
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: AG79802
ChemicalName: 2-Ethoxy-5-nitrobenzoic acid
CasNumber: 57148-23-9
MolecularFormula: C9H9NO5
MolecularWeight: 211.1715
MdlNumber: MFCD05625816
Smiles: CCOc1ccc(cc1C(=O)O)[N+](=O)[O-]
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AG79802
ChemicalName:
2-Ethoxy-5-nitrobenzoic acid
CasNumber:
57148-23-9
MolecularFormula:
C9H9NO5
MolecularWeight:
211.1715
MdlNumber:
MFCD05625816
Smiles:
CCOc1ccc(cc1C(=O)O)[N+](=O)[O-]
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AG79803
ChemicalName: Ethyl 4-bromo-1,5-dimethylpyrazole-3-carboxylate
CasNumber: 5775-90-6
MolecularFormula: C8H11BrN2O2
MolecularWeight: 247.08914
MdlNumber: MFCD00207970
Smiles: CCOC(=O)c1nn(c(c1Br)C)C
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AG79803
ChemicalName:
Ethyl 4-bromo-1,5-dimethylpyrazole-3-carboxylate
CasNumber:
5775-90-6
MolecularFormula:
C8H11BrN2O2
MolecularWeight:
247.08914
MdlNumber:
MFCD00207970
Smiles:
CCOC(=O)c1nn(c(c1Br)C)C
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AG79804
ChemicalName: N,3-Dimethylthiophene-2-carboxamide
CasNumber: 56776-68-2
MolecularFormula: C7H9NOS
MolecularWeight: 155.2175
MdlNumber: MFCD11726152
Smiles: CNC(=O)c1sccc1C
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AG79804
ChemicalName:
N,3-Dimethylthiophene-2-carboxamide
CasNumber:
56776-68-2
MolecularFormula:
C7H9NOS
MolecularWeight:
155.2175
MdlNumber:
MFCD11726152
Smiles:
CNC(=O)c1sccc1C
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6