AB78233
3598-14-9 | Phenoxyacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB78233
ChemicalName
Phenoxyacetonitrile
CasNumber
3598-14-9
MolecularFormula
C8H7NO
MolecularWeight
133.1473
MdlNumber
MFCD00052017
Smiles
N#CCOc1ccccc1
NscNumber
49354
Complexity
129
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AB78233
ChemicalName: Phenoxyacetonitrile
CasNumber: 3598-14-9
MolecularFormula: C8H7NO
MolecularWeight: 133.1473
MdlNumber: MFCD00052017
Smiles: N#CCOc1ccccc1
NscNumber: 49354
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB78233
ChemicalName:
Phenoxyacetonitrile
CasNumber:
3598-14-9
MolecularFormula:
C8H7NO
MolecularWeight:
133.1473
MdlNumber:
MFCD00052017
Smiles:
N#CCOc1ccccc1
NscNumber:
49354
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)COc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
ClC(=O)COc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)OP(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 245
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
c1ccc(cc1)OP(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
245
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)OCCOc1ccccc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)OCCOc1ccccc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__