AI41968
1865-09-4 | 1H-Benzoimidazole-2-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI41968
ChemicalName
1H-Benzoimidazole-2-carboxylic acid ethyl ester
CasNumber
1865-09-4
MolecularFormula
C10H10N2O2
MolecularWeight
190.1986
MdlNumber
MFCD00721392
Smiles
CCOC(=O)c1nc2c([nH]1)cccc2
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AI41968
ChemicalName: 1H-Benzoimidazole-2-carboxylic acid ethyl ester
CasNumber: 1865-09-4
MolecularFormula: C10H10N2O2
MolecularWeight: 190.1986
MdlNumber: MFCD00721392
Smiles: CCOC(=O)c1nc2c([nH]1)cccc2
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AI41968
ChemicalName:
1H-Benzoimidazole-2-carboxylic acid ethyl ester
CasNumber:
1865-09-4
MolecularFormula:
C10H10N2O2
MolecularWeight:
190.1986
MdlNumber:
MFCD00721392
Smiles:
CCOC(=O)c1nc2c([nH]1)cccc2
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AI41969
ChemicalName: 2,15-Hexadecanedione
CasNumber: 18650-13-0
MolecularFormula: C16H30O2
MolecularWeight: 254.4082
MdlNumber: MFCD00039837
Smiles: CC(=O)CCCCCCCCCCCCC(=O)C
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 13
Xlogp3: 4.6
CatalogNumber:
AI41969
ChemicalName:
2,15-Hexadecanedione
CasNumber:
18650-13-0
MolecularFormula:
C16H30O2
MolecularWeight:
254.4082
MdlNumber:
MFCD00039837
Smiles:
CC(=O)CCCCCCCCCCCCC(=O)C
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
13
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1cc(F)cc(c1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1cc(F)cc(c1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOC1=C(C(=CC=C1)Cl)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOC1=C(C(=CC=C1)Cl)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__