AI29006
1285132-66-2 | Ethyl 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI29006
ChemicalName
Ethyl 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxylate
CasNumber
1285132-66-2
MolecularFormula
C12H11Cl2N3O2
MolecularWeight
300.1406
MdlNumber
MFCD06795947
Smiles
CCOC(=O)C1=C(N(N=C1)C2=C(C(=CC=C2)Cl)Cl)N
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.6
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CatalogNumber: AI29006
ChemicalName: Ethyl 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxylate
CasNumber: 1285132-66-2
MolecularFormula: C12H11Cl2N3O2
MolecularWeight: 300.1406
MdlNumber: MFCD06795947
Smiles: CCOC(=O)C1=C(N(N=C1)C2=C(C(=CC=C2)Cl)Cl)N
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AI29006
ChemicalName:
Ethyl 5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxylate
CasNumber:
1285132-66-2
MolecularFormula:
C12H11Cl2N3O2
MolecularWeight:
300.1406
MdlNumber:
MFCD06795947
Smiles:
CCOC(=O)C1=C(N(N=C1)C2=C(C(=CC=C2)Cl)Cl)N
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.6
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Smiles: O=C(N1CC(C1)Nc1ccccc1)OC(C)(C)C
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O=C(N1CC(C1)Nc1ccccc1)OC(C)(C)C
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Smiles: COC(=O)CCNC(=O)C1=CC(=CC=C1)O
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COC(=O)CCNC(=O)C1=CC(=CC=C1)O
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Smiles: Fc1ccc(c(c1)F)CC(=O)c1cccnc1
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Smiles:
Fc1ccc(c(c1)F)CC(=O)c1cccnc1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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