AF64730
256936-11-5 | Methyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF64730
ChemicalName
Methyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate
CasNumber
256936-11-5
MolecularFormula
C11H12N2O2
MolecularWeight
204.2252
MdlNumber
MFCD13193112
Smiles
COC(=O)c1ccc2c(c1)nc(n2C)C
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AF64730
ChemicalName: Methyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate
CasNumber: 256936-11-5
MolecularFormula: C11H12N2O2
MolecularWeight: 204.2252
MdlNumber: MFCD13193112
Smiles: COC(=O)c1ccc2c(c1)nc(n2C)C
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AF64730
ChemicalName:
Methyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate
CasNumber:
256936-11-5
MolecularFormula:
C11H12N2O2
MolecularWeight:
204.2252
MdlNumber:
MFCD13193112
Smiles:
COC(=O)c1ccc2c(c1)nc(n2C)C
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1cc(OC)c(c(c1)OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1cc(OC)c(c(c1)OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCC#C
Complexity: 118
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCC#C
Complexity:
118
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccc(cc1)F)CC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccc(cc1)F)CC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__