AI61311
915230-46-5 | 5-(Trifluoromethyl)-1h-imidazole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI61311
ChemicalName
5-(Trifluoromethyl)-1h-imidazole-2-carboxylic acid
CasNumber
915230-46-5
MolecularFormula
C5H3F3N2O2
MolecularWeight
180.08472959999997
MdlNumber
MFCD14583619
Smiles
OC(=O)c1ncc([nH]1)C(F)(F)F
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AI61311
ChemicalName: 5-(Trifluoromethyl)-1h-imidazole-2-carboxylic acid
CasNumber: 915230-46-5
MolecularFormula: C5H3F3N2O2
MolecularWeight: 180.08472959999997
MdlNumber: MFCD14583619
Smiles: OC(=O)c1ncc([nH]1)C(F)(F)F
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AI61311
ChemicalName:
5-(Trifluoromethyl)-1h-imidazole-2-carboxylic acid
CasNumber:
915230-46-5
MolecularFormula:
C5H3F3N2O2
MolecularWeight:
180.08472959999997
MdlNumber:
MFCD14583619
Smiles:
OC(=O)c1ncc([nH]1)C(F)(F)F
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@]1(C)CNCC21CC2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@]1(C)CNCC21CC2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H](N1CC(CC1=O)C(=O)O)c1ccccc1
Complexity: 310
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H](N1CC(CC1=O)C(=O)O)c1ccccc1
Complexity:
310
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: AI61315
ChemicalName: 5,6-Dihydrothieno[2,3-d]pyridazine-4,7-dione
CasNumber: 91533-21-0
MolecularFormula: C6H4N2O2S
MolecularWeight: 168.1732
MdlNumber: MFCD21604255
Smiles: O=c1[nH][nH]c(=O)c2c1scc2
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AI61315
ChemicalName:
5,6-Dihydrothieno[2,3-d]pyridazine-4,7-dione
CasNumber:
91533-21-0
MolecularFormula:
C6H4N2O2S
MolecularWeight:
168.1732
MdlNumber:
MFCD21604255
Smiles:
O=c1[nH][nH]c(=O)c2c1scc2
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
0.5