AI37884
161417-56-7 | 4-(Methanesulfonylmethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI37884
ChemicalName
4-(Methanesulfonylmethyl)benzonitrile
CasNumber
161417-56-7
MolecularFormula
C9H9NO2S
MolecularWeight
195.2383
MdlNumber
MFCD15201679
Smiles
N#Cc1ccc(cc1)CS(=O)(=O)C
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AI37884
ChemicalName: 4-(Methanesulfonylmethyl)benzonitrile
CasNumber: 161417-56-7
MolecularFormula: C9H9NO2S
MolecularWeight: 195.2383
MdlNumber: MFCD15201679
Smiles: N#Cc1ccc(cc1)CS(=O)(=O)C
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AI37884
ChemicalName:
4-(Methanesulfonylmethyl)benzonitrile
CasNumber:
161417-56-7
MolecularFormula:
C9H9NO2S
MolecularWeight:
195.2383
MdlNumber:
MFCD15201679
Smiles:
N#Cc1ccc(cc1)CS(=O)(=O)C
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AI37885
ChemicalName: Benzyl 4-isopropoxypiperidine-1-carboxylate
CasNumber: 1614234-65-9
MolecularFormula: C16H23NO3
MolecularWeight: 277.3587
MdlNumber: MFCD28385219
Smiles: CC(OC1CCN(CC1)C(=O)OCc1ccccc1)C
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.8
CatalogNumber:
AI37885
ChemicalName:
Benzyl 4-isopropoxypiperidine-1-carboxylate
CasNumber:
1614234-65-9
MolecularFormula:
C16H23NO3
MolecularWeight:
277.3587
MdlNumber:
MFCD28385219
Smiles:
CC(OC1CCN(CC1)C(=O)OCc1ccccc1)C
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.8
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Smiles: COc1cc(OC)cc(c1)[N+](=O)[O-]
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COc1cc(OC)cc(c1)[N+](=O)[O-]
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Smiles: CCC([C@@H](C(=O)O)NC(=O)OC(C)(C)C)(C)C
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MolecularFormula:
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MdlNumber:
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Smiles:
CCC([C@@H](C(=O)O)NC(=O)OC(C)(C)C)(C)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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