AG79803
5775-90-6 | Ethyl 4-bromo-1,5-dimethylpyrazole-3-carboxylate
Manufacturer: A2B Chem
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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
RotatableBondCount
3
Xlogp3
1.9
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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
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
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
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
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AG79806
ChemicalName: 4-Fluoro-2-methyl-5-nitrobenzoic acid
CasNumber: 64695-92-7
MolecularFormula: C8H6FNO4
MolecularWeight: 199.1359
MdlNumber: MFCD11847453
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(cc1F)C
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AG79806
ChemicalName:
4-Fluoro-2-methyl-5-nitrobenzoic acid
CasNumber:
64695-92-7
MolecularFormula:
C8H6FNO4
MolecularWeight:
199.1359
MdlNumber:
MFCD11847453
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(cc1F)C
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AG79807
ChemicalName: 4-Fluorophenyl 2-nitrobenzoate
CasNumber: 62433-22-1
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD25953893
Smiles: Fc1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-]
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AG79807
ChemicalName:
4-Fluorophenyl 2-nitrobenzoate
CasNumber:
62433-22-1
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD25953893
Smiles:
Fc1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-]
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
3.3