AA33783
120068-79-3 | 5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cycano pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AA33783
ChemicalName
5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cycano pyrazole
CasNumber
120068-79-3
MolecularFormula
C11H5Cl2F3N4
MolecularWeight
321.0854
MdlNumber
MFCD00227537
Smiles
N#Cc1nn(c(c1)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
Complexity
398
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.7
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CatalogNumber: AA33783
ChemicalName: 5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cycano pyrazole
CasNumber: 120068-79-3
MolecularFormula: C11H5Cl2F3N4
MolecularWeight: 321.0854
MdlNumber: MFCD00227537
Smiles: N#Cc1nn(c(c1)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
Complexity: 398
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AA33783
ChemicalName:
5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cycano pyrazole
CasNumber:
120068-79-3
MolecularFormula:
C11H5Cl2F3N4
MolecularWeight:
321.0854
MdlNumber:
MFCD00227537
Smiles:
N#Cc1nn(c(c1)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
Complexity:
398
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.7
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Smiles: OC[C@@H]1[C@H]2C[C@H]2[C@]2([C@H]1CC1=C(CO)C(=O)OC1=C2)C
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OC[C@@H]1[C@H]2C[C@H]2[C@]2([C@H]1CC1=C(CO)C(=O)OC1=C2)C
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Smiles: [BH2]#[Mo]#[Mo]
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[BH2]#[Mo]#[Mo]
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Smiles: [Fe].[Fe].B
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MolecularFormula:
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Smiles:
[Fe].[Fe].B
Complexity:
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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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