AV16018
58905-32-1 | 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AV16018
ChemicalName
3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
CasNumber
58905-32-1
MolecularFormula
C8H13N3O
MolecularWeight
167.2083
MdlNumber
MFCD00466379
Smiles
O=C(C(C)(C)C)Cn1ncnc1
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AV16018
ChemicalName: 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
CasNumber: 58905-32-1
MolecularFormula: C8H13N3O
MolecularWeight: 167.2083
MdlNumber: MFCD00466379
Smiles: O=C(C(C)(C)C)Cn1ncnc1
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AV16018
ChemicalName:
3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
CasNumber:
58905-32-1
MolecularFormula:
C8H13N3O
MolecularWeight:
167.2083
MdlNumber:
MFCD00466379
Smiles:
O=C(C(C)(C)C)Cn1ncnc1
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3
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Smiles: Cc1nn(c(c1S(=O)(=O)Cl)C)CC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
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Smiles:
Cc1nn(c(c1S(=O)(=O)Cl)C)CC(F)(F)F
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Smiles: Cc1cccc(c1C(F)(F)F)C
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Cc1cccc(c1C(F)(F)F)C
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RotatableBondCount:
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Smiles: OC(=O)Cn1nc(c2c1nc(C)cc2C(F)(F)F)C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cn1nc(c2c1nc(C)cc2C(F)(F)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__