AB75942
6833-82-5 | Methyl 5-(trifluoromethyl)pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75942
ChemicalName
Methyl 5-(trifluoromethyl)pyrazole-3-carboxylate
CasNumber
6833-82-5
MolecularFormula
C6H5F3N2O2
MolecularWeight
194.1113
MdlNumber
MFCD09754160
Smiles
COC(=O)c1cc([nH]n1)C(F)(F)F
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB75942
ChemicalName: Methyl 5-(trifluoromethyl)pyrazole-3-carboxylate
CasNumber: 6833-82-5
MolecularFormula: C6H5F3N2O2
MolecularWeight: 194.1113
MdlNumber: MFCD09754160
Smiles: COC(=O)c1cc([nH]n1)C(F)(F)F
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB75942
ChemicalName:
Methyl 5-(trifluoromethyl)pyrazole-3-carboxylate
CasNumber:
6833-82-5
MolecularFormula:
C6H5F3N2O2
MolecularWeight:
194.1113
MdlNumber:
MFCD09754160
Smiles:
COC(=O)c1cc([nH]n1)C(F)(F)F
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCc1cc(OC)c(c(c1)C(=O)OC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCc1cc(OC)c(c(c1)C(=O)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75944
ChemicalName: Methyl 5-amino-4h-[1,2,4]triazole-3-carboxylate
CasNumber: 3641-14-3
MolecularFormula: C4H6N4O2
MolecularWeight: 142.11604
MdlNumber: MFCD00297193
Smiles: COC(=O)c1n[nH]c(n1)N
Complexity: 139
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AB75944
ChemicalName:
Methyl 5-amino-4h-[1,2,4]triazole-3-carboxylate
CasNumber:
3641-14-3
MolecularFormula:
C4H6N4O2
MolecularWeight:
142.11604
MdlNumber:
MFCD00297193
Smiles:
COC(=O)c1n[nH]c(n1)N
Complexity:
139
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc([nH]n1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc([nH]n1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__