AG16935
54698-60-1 | 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG16935
ChemicalName
1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
CasNumber
54698-60-1
MolecularFormula
C11H11N3O2
MolecularWeight
217.2239
MdlNumber
MFCD06411557
Smiles
OC(=O)c1nnn(c1C)Cc1ccccc1
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AG16935
ChemicalName: 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
CasNumber: 54698-60-1
MolecularFormula: C11H11N3O2
MolecularWeight: 217.2239
MdlNumber: MFCD06411557
Smiles: OC(=O)c1nnn(c1C)Cc1ccccc1
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AG16935
ChemicalName:
1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
CasNumber:
54698-60-1
MolecularFormula:
C11H11N3O2
MolecularWeight:
217.2239
MdlNumber:
MFCD06411557
Smiles:
OC(=O)c1nnn(c1C)Cc1ccccc1
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
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MolecularFormula: __
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Smiles: Oc1nc(nc(c1)C(F)(F)F)c1nccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Oc1nc(nc(c1)C(F)(F)F)c1nccnc1
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: CCCF
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CCCF
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Smiles: FC(C(c1nc2c([nH]1)cccc2)(F)F)(C(F)(F)F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(c1nc2c([nH]1)cccc2)(F)F)(C(F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__