AV18773
1086703-01-6 | (S)-4-(4-Hydroxy-phenyl)-5-oxo-oxazolidine-3-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AV18773
ChemicalName
(S)-4-(4-Hydroxy-phenyl)-5-oxo-oxazolidine-3-carboxylic acid tert-butyl ester
CasNumber
1086703-01-6
MolecularFormula
C14H17NO5
MolecularWeight
279.2885
MdlNumber
MFCD30185070
Smiles
O=C(N1COC(=O)[C@@H]1c1ccc(cc1)O)OC(C)(C)C
Complexity
382
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AV18773
ChemicalName: (S)-4-(4-Hydroxy-phenyl)-5-oxo-oxazolidine-3-carboxylic acid tert-butyl ester
CasNumber: 1086703-01-6
MolecularFormula: C14H17NO5
MolecularWeight: 279.2885
MdlNumber: MFCD30185070
Smiles: O=C(N1COC(=O)[C@@H]1c1ccc(cc1)O)OC(C)(C)C
Complexity: 382
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AV18773
ChemicalName:
(S)-4-(4-Hydroxy-phenyl)-5-oxo-oxazolidine-3-carboxylic acid tert-butyl ester
CasNumber:
1086703-01-6
MolecularFormula:
C14H17NO5
MolecularWeight:
279.2885
MdlNumber:
MFCD30185070
Smiles:
O=C(N1COC(=O)[C@@H]1c1ccc(cc1)O)OC(C)(C)C
Complexity:
382
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1NS(=O)(=O)c1ccc(cc1)C)F
Complexity: 378
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1NS(=O)(=O)c1ccc(cc1)C)F
Complexity:
378
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: AV18775
ChemicalName: 1-(4-(Chloromethyl)phenyl)-1H-1,2,3-triazole
CasNumber: 1341039-29-9
MolecularFormula: C9H8ClN3
MolecularWeight: 193.6329
MdlNumber: MFCD30185155
Smiles: ClCc1ccc(cc1)n1ccnn1
Complexity: 157
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AV18775
ChemicalName:
1-(4-(Chloromethyl)phenyl)-1H-1,2,3-triazole
CasNumber:
1341039-29-9
MolecularFormula:
C9H8ClN3
MolecularWeight:
193.6329
MdlNumber:
MFCD30185155
Smiles:
ClCc1ccc(cc1)n1ccnn1
Complexity:
157
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CCc1ccc(c(c1)OC)OCc1ccccc1
Complexity: 338
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CCc1ccc(c(c1)OC)OCc1ccccc1
Complexity:
338
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6