AA65415
147126-62-3 | (2R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA65415
ChemicalName
(2R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
CasNumber
147126-62-3
MolecularFormula
C14H24O4S
MolecularWeight
288.403
MdlNumber
MFCD08273790
Smiles
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@@H](O1)O)C(C)C
Complexity
321
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AA65415
ChemicalName: (2R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
CasNumber: 147126-62-3
MolecularFormula: C14H24O4S
MolecularWeight: 288.403
MdlNumber: MFCD08273790
Smiles: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@@H](O1)O)C(C)C
Complexity: 321
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AA65415
ChemicalName:
(2R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
CasNumber:
147126-62-3
MolecularFormula:
C14H24O4S
MolecularWeight:
288.403
MdlNumber:
MFCD08273790
Smiles:
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@@H](O1)O)C(C)C
Complexity:
321
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1ccc(cc1[N+](=O)[O-])F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1ccc(cc1[N+](=O)[O-])F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA65418
ChemicalName: Methyl 2-(4-chloro-2-nitrophenyl)acetate
CasNumber: 147124-37-6
MolecularFormula: C9H8ClNO4
MolecularWeight: 229.61712
MdlNumber: MFCD12913619
Smiles: COC(=O)Cc1ccc(cc1N(=O)=O)Cl
Complexity: 253
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA65418
ChemicalName:
Methyl 2-(4-chloro-2-nitrophenyl)acetate
CasNumber:
147124-37-6
MolecularFormula:
C9H8ClNO4
MolecularWeight:
229.61712
MdlNumber:
MFCD12913619
Smiles:
COC(=O)Cc1ccc(cc1N(=O)=O)Cl
Complexity:
253
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.5