AB45330
69922-28-7 | 5-Isocyanato-1,3-benzodioxole
Manufacturer: A2B Chem
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CatalogNumber
AB45330
ChemicalName
5-Isocyanato-1,3-benzodioxole
CasNumber
69922-28-7
MolecularFormula
C8H5NO3
MolecularWeight
163.1302
MdlNumber
MFCD01863692
Smiles
O=C=Nc1ccc2c(c1)OCO2
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB45330
ChemicalName: 5-Isocyanato-1,3-benzodioxole
CasNumber: 69922-28-7
MolecularFormula: C8H5NO3
MolecularWeight: 163.1302
MdlNumber: MFCD01863692
Smiles: O=C=Nc1ccc2c(c1)OCO2
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB45330
ChemicalName:
5-Isocyanato-1,3-benzodioxole
CasNumber:
69922-28-7
MolecularFormula:
C8H5NO3
MolecularWeight:
163.1302
MdlNumber:
MFCD01863692
Smiles:
O=C=Nc1ccc2c(c1)OCO2
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc2c1CCC(C2)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc2c1CCC(C2)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45332
ChemicalName: 5-Methoxybenzimidazole
CasNumber: 4887-80-3
MolecularFormula: C8H8N2O
MolecularWeight: 148.16192
MdlNumber: MFCD00272526
Smiles: COc1ccc2c(c1)[nH]cn2
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB45332
ChemicalName:
5-Methoxybenzimidazole
CasNumber:
4887-80-3
MolecularFormula:
C8H8N2O
MolecularWeight:
148.16192
MdlNumber:
MFCD00272526
Smiles:
COc1ccc2c(c1)[nH]cn2
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)N)C
Complexity: 105
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)N)C
Complexity:
105
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8