AI55943
750649-44-6 | Benzyl (1s,3s)-3-hydroxycyclohexylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AI55943
ChemicalName
Benzyl (1s,3s)-3-hydroxycyclohexylcarbamate
CasNumber
750649-44-6
MolecularFormula
C12H22N2O4
MolecularWeight
258.3141
MdlNumber
MFCD23378488
Smiles
OC[C@H](CC1CCNC1=O)NC(=O)OC(C)(C)C
Complexity
264
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AI55943
ChemicalName: Benzyl (1s,3s)-3-hydroxycyclohexylcarbamate
CasNumber: 750649-44-6
MolecularFormula: C12H22N2O4
MolecularWeight: 258.3141
MdlNumber: MFCD23378488
Smiles: OC[C@H](CC1CCNC1=O)NC(=O)OC(C)(C)C
Complexity: 264
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AI55943
ChemicalName:
Benzyl (1s,3s)-3-hydroxycyclohexylcarbamate
CasNumber:
750649-44-6
MolecularFormula:
C12H22N2O4
MolecularWeight:
258.3141
MdlNumber:
MFCD23378488
Smiles:
OC[C@H](CC1CCNC1=O)NC(=O)OC(C)(C)C
Complexity:
264
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)c1c[nH]c2c(c1=O)cc(c(c2)Cl)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)cc(c(c2)Cl)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc2c1c(=O)c1c(s2)cccc1)C
Complexity: 325
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(c1cccc2c1c(=O)c1c(s2)cccc1)C
Complexity:
325
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.6
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)C(=O)OC[C@H]1O[C@H]2[C@@H]([C@H]1OS(=O)(=O)C(F)(F)F)OC(O2)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)C(=O)OC[C@H]1O[C@H]2[C@@H]([C@H]1OS(=O)(=O)C(F)(F)F)OC(O2)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__