AI66006
958863-77-9 | 1-Methyl-5-(trifluoromethyl)-1,3-benzodiazole-2-carbaldehyde, hydrate
Manufacturer: A2B Chem
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CatalogNumber
AI66006
ChemicalName
1-Methyl-5-(trifluoromethyl)-1,3-benzodiazole-2-carbaldehyde, hydrate
CasNumber
958863-77-9
MolecularFormula
C10H7F3N2O
MolecularWeight
228.1706
MdlNumber
MFCD19288829
Smiles
O=Cc1nc2c(n1C)ccc(c2)C(F)(F)F
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AI66006
ChemicalName: 1-Methyl-5-(trifluoromethyl)-1,3-benzodiazole-2-carbaldehyde, hydrate
CasNumber: 958863-77-9
MolecularFormula: C10H7F3N2O
MolecularWeight: 228.1706
MdlNumber: MFCD19288829
Smiles: O=Cc1nc2c(n1C)ccc(c2)C(F)(F)F
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AI66006
ChemicalName:
1-Methyl-5-(trifluoromethyl)-1,3-benzodiazole-2-carbaldehyde, hydrate
CasNumber:
958863-77-9
MolecularFormula:
C10H7F3N2O
MolecularWeight:
228.1706
MdlNumber:
MFCD19288829
Smiles:
O=Cc1nc2c(n1C)ccc(c2)C(F)(F)F
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1sc2c(c1)c1nncn1cn2
Complexity: 217
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1sc2c(c1)c1nncn1cn2
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(C(C)C)CNC(=O)OC(C)(C)C
Complexity: 268
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(C(C)C)CNC(=O)OC(C)(C)C
Complexity:
268
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC(C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity: 437
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC(C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity:
437
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2