AE64620
1292369-51-7 | 1-(3-Fluorophenyl)-1h-1,2,4-triazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE64620
ChemicalName
1-(3-Fluorophenyl)-1h-1,2,4-triazole-3-carboxylic acid
CasNumber
1292369-51-7
MolecularFormula
C9H6FN3O2
MolecularWeight
207.1612
MdlNumber
MFCD13190743
Smiles
Fc1cccc(c1)n1cnc(n1)C(=O)O
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AE64620
ChemicalName: 1-(3-Fluorophenyl)-1h-1,2,4-triazole-3-carboxylic acid
CasNumber: 1292369-51-7
MolecularFormula: C9H6FN3O2
MolecularWeight: 207.1612
MdlNumber: MFCD13190743
Smiles: Fc1cccc(c1)n1cnc(n1)C(=O)O
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AE64620
ChemicalName:
1-(3-Fluorophenyl)-1h-1,2,4-triazole-3-carboxylic acid
CasNumber:
1292369-51-7
MolecularFormula:
C9H6FN3O2
MolecularWeight:
207.1612
MdlNumber:
MFCD13190743
Smiles:
Fc1cccc(c1)n1cnc(n1)C(=O)O
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
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Smiles: Fc1cc(CCl)c(nc1)CCl
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Fc1cc(CCl)c(nc1)CCl
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Smiles: Cc1cc(cnc1OCc1ccccc1)B1OC(C(O1)(C)C)(C)C
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Cc1cc(cnc1OCc1ccccc1)B1OC(C(O1)(C)C)(C)C
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Smiles: COCCOc1cc(Cl)ccn1
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Smiles:
COCCOc1cc(Cl)ccn1
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HydrogenBondDonorCount:
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RotatableBondCount:
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