AI57699
862112-25-2 | 5-(Trifluoromethyl)-1h-1,2,3-triazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57699
ChemicalName
5-(Trifluoromethyl)-1h-1,2,3-triazole-4-carboxylic acid
CasNumber
862112-25-2
MolecularFormula
C4H2F3N3O2
MolecularWeight
181.0727896
MdlNumber
MFCD20658941
Smiles
OC(=O)c1nn[nH]c1C(F)(F)F
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AI57699
ChemicalName: 5-(Trifluoromethyl)-1h-1,2,3-triazole-4-carboxylic acid
CasNumber: 862112-25-2
MolecularFormula: C4H2F3N3O2
MolecularWeight: 181.0727896
MdlNumber: MFCD20658941
Smiles: OC(=O)c1nn[nH]c1C(F)(F)F
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AI57699
ChemicalName:
5-(Trifluoromethyl)-1h-1,2,3-triazole-4-carboxylic acid
CasNumber:
862112-25-2
MolecularFormula:
C4H2F3N3O2
MolecularWeight:
181.0727896
MdlNumber:
MFCD20658941
Smiles:
OC(=O)c1nn[nH]c1C(F)(F)F
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.4
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Smiles: BrCc1nc(Cl)cc(c1)C(F)(F)F
Complexity: __
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Smiles:
BrCc1nc(Cl)cc(c1)C(F)(F)F
Complexity:
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Smiles: CC1(C)OB(OC1(C)C)C#CCOCc1ccccc1
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Smiles:
CC1(C)OB(OC1(C)C)C#CCOCc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC1(C)OB(OC1(C)C)c1onc(c1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1onc(c1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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