AB10586
201530-41-8 | 4-[bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB10586
ChemicalName
4-[bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
CasNumber
201530-41-8
MolecularFormula
C21H15N3O4
MolecularWeight
373.3615
MdlNumber
MFCD09751362
Smiles
OC(=O)c1ccc(cc1)n1nc(nc1c1ccccc1O)c1ccccc1O
Complexity
540
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
3.8
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CatalogNumber: AB10586
ChemicalName: 4-[bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
CasNumber: 201530-41-8
MolecularFormula: C21H15N3O4
MolecularWeight: 373.3615
MdlNumber: MFCD09751362
Smiles: OC(=O)c1ccc(cc1)n1nc(nc1c1ccccc1O)c1ccccc1O
Complexity: 540
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 3.8
CatalogNumber:
AB10586
ChemicalName:
4-[bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
CasNumber:
201530-41-8
MolecularFormula:
C21H15N3O4
MolecularWeight:
373.3615
MdlNumber:
MFCD09751362
Smiles:
OC(=O)c1ccc(cc1)n1nc(nc1c1ccccc1O)c1ccccc1O
Complexity:
540
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
3.8
CatalogNumber: AB10588
ChemicalName: 3-Trifluoromethyl-1H-pyrazole
CasNumber: 20154-03-4
MolecularFormula: C4H3F3N2
MolecularWeight: 136.0752
MdlNumber: MFCD00115018
Smiles: FC(c1cc[nH]n1)(F)F
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AB10588
ChemicalName:
3-Trifluoromethyl-1H-pyrazole
CasNumber:
20154-03-4
MolecularFormula:
C4H3F3N2
MolecularWeight:
136.0752
MdlNumber:
MFCD00115018
Smiles:
FC(c1cc[nH]n1)(F)F
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.1
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Smiles:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCCCC[Sn](CCCCCC)(CCCCCC)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC[Sn](CCCCCC)(CCCCCC)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__