AI49799
400899-99-2 | Trans-(4-hydroxy-cyclohexyl)-methyl-carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI49799
ChemicalName
Trans-(4-hydroxy-cyclohexyl)-methyl-carbamic acid tert-butyl ester
CasNumber
400899-99-2
MolecularFormula
C12H23NO3
MolecularWeight
229.31592000000012
MdlNumber
MFCD23106043
Smiles
O[C@@H]1CC[C@H](CC1)N(C(=O)OC(C)(C)C)C
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AI49799
ChemicalName: Trans-(4-hydroxy-cyclohexyl)-methyl-carbamic acid tert-butyl ester
CasNumber: 400899-99-2
MolecularFormula: C12H23NO3
MolecularWeight: 229.31592000000012
MdlNumber: MFCD23106043
Smiles: O[C@@H]1CC[C@H](CC1)N(C(=O)OC(C)(C)C)C
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AI49799
ChemicalName:
Trans-(4-hydroxy-cyclohexyl)-methyl-carbamic acid tert-butyl ester
CasNumber:
400899-99-2
MolecularFormula:
C12H23NO3
MolecularWeight:
229.31592000000012
MdlNumber:
MFCD23106043
Smiles:
O[C@@H]1CC[C@H](CC1)N(C(=O)OC(C)(C)C)C
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC[C@@H]1O[C@H](C[C@H]1O)n1ccc(nc1=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OC[C@@H]1O[C@H](C[C@H]1O)n1ccc(nc1=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Smiles: CCOC(=O)C(I)F
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Smiles:
CCOC(=O)C(I)F
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1cc(cc(c1Cl)Br)C(F)(F)F
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__
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:
Clc1cc(cc(c1Cl)Br)C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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