AF59267
313655-45-7 | 2-(2-Hydroxyethoxy)-benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF59267
ChemicalName
2-(2-Hydroxyethoxy)-benzonitrile
CasNumber
313655-45-7
MolecularFormula
C9H9NO2
MolecularWeight
163.1733
MdlNumber
MFCD09743449
Smiles
OCCOc1ccccc1C#N
Complexity
173
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AF59267
ChemicalName: 2-(2-Hydroxyethoxy)-benzonitrile
CasNumber: 313655-45-7
MolecularFormula: C9H9NO2
MolecularWeight: 163.1733
MdlNumber: MFCD09743449
Smiles: OCCOc1ccccc1C#N
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AF59267
ChemicalName:
2-(2-Hydroxyethoxy)-benzonitrile
CasNumber:
313655-45-7
MolecularFormula:
C9H9NO2
MolecularWeight:
163.1733
MdlNumber:
MFCD09743449
Smiles:
OCCOc1ccccc1C#N
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AF59268
ChemicalName: Benzyl 3-bromopropylcarbamate
CasNumber: 39945-54-5
MolecularFormula: C11H14BrNO2
MolecularWeight: 272.13836
MdlNumber: MFCD01737871
Smiles: BrCCCNC(=O)OCc1ccccc1
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.6
CatalogNumber:
AF59268
ChemicalName:
Benzyl 3-bromopropylcarbamate
CasNumber:
39945-54-5
MolecularFormula:
C11H14BrNO2
MolecularWeight:
272.13836
MdlNumber:
MFCD01737871
Smiles:
BrCCCNC(=O)OCc1ccccc1
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.6
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Smiles: CC(=O)OC[C@H]1O[C@H](NC(=O)C(Cl)(Cl)Cl)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
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Smiles:
CC(=O)OC[C@H]1O[C@H](NC(=O)C(Cl)(Cl)Cl)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
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