AG68896
5932-31-0 | 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG68896
ChemicalName
1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid ethyl ester
CasNumber
5932-31-0
MolecularFormula
C9H12N2O2
MolecularWeight
180.20378000000002
MdlNumber
MFCD07778361
Smiles
CCOC(=O)c1n[nH]c2c1CCC2
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AG68896
ChemicalName: 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid ethyl ester
CasNumber: 5932-31-0
MolecularFormula: C9H12N2O2
MolecularWeight: 180.20378000000002
MdlNumber: MFCD07778361
Smiles: CCOC(=O)c1n[nH]c2c1CCC2
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AG68896
ChemicalName:
1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid ethyl ester
CasNumber:
5932-31-0
MolecularFormula:
C9H12N2O2
MolecularWeight:
180.20378000000002
MdlNumber:
MFCD07778361
Smiles:
CCOC(=O)c1n[nH]c2c1CCC2
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=O)OC1c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=O)OC1c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG68899
ChemicalName: 6-Fluoro-1h-benzimidazole-2-thiol
CasNumber: 583-42-6
MolecularFormula: C7H5FN2S
MolecularWeight: 168.1914
MdlNumber: MFCD01029984
Smiles: Fc1ccc2c(c1)[nH]c(=S)[nH]2
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AG68899
ChemicalName:
6-Fluoro-1h-benzimidazole-2-thiol
CasNumber:
583-42-6
MolecularFormula:
C7H5FN2S
MolecularWeight:
168.1914
MdlNumber:
MFCD01029984
Smiles:
Fc1ccc2c(c1)[nH]c(=S)[nH]2
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc2c(C)noc2cc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc2c(C)noc2cc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__