AI30145
1326810-58-5 | Ethyl 5-(2-fluorophenyl)pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI30145
ChemicalName
Ethyl 5-(2-fluorophenyl)pyrazole-3-carboxylate
CasNumber
1326810-58-5
MolecularFormula
C12H11FN2O2
MolecularWeight
234.2263
MdlNumber
MFCD09749414
Smiles
CCOC(=O)c1[nH]nc(c1)c1ccccc1F
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AI30145
ChemicalName: Ethyl 5-(2-fluorophenyl)pyrazole-3-carboxylate
CasNumber: 1326810-58-5
MolecularFormula: C12H11FN2O2
MolecularWeight: 234.2263
MdlNumber: MFCD09749414
Smiles: CCOC(=O)c1[nH]nc(c1)c1ccccc1F
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AI30145
ChemicalName:
Ethyl 5-(2-fluorophenyl)pyrazole-3-carboxylate
CasNumber:
1326810-58-5
MolecularFormula:
C12H11FN2O2
MolecularWeight:
234.2263
MdlNumber:
MFCD09749414
Smiles:
CCOC(=O)c1[nH]nc(c1)c1ccccc1F
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nc2c(o1)cc(c(c2)Cl)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1nc2c(o1)cc(c(c2)Cl)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI30147
ChemicalName: 5-Chloro-7-nitro-1,3-benzoxazol-2-amine
CasNumber: 1326814-89-4
MolecularFormula: C7H4ClN3O3
MolecularWeight: 213.578
MdlNumber: MFCD19707039
Smiles: Clc1cc2nc(oc2c(c1)[N+](=O)[O-])N
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AI30147
ChemicalName:
5-Chloro-7-nitro-1,3-benzoxazol-2-amine
CasNumber:
1326814-89-4
MolecularFormula:
C7H4ClN3O3
MolecularWeight:
213.578
MdlNumber:
MFCD19707039
Smiles:
Clc1cc2nc(oc2c(c1)[N+](=O)[O-])N
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(c(c1)C)n1nnc(c1c1ccncc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1)C)n1nnc(c1c1ccncc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__