AI63534
947141-86-8 | tert-Butyl trans-4-ethynylcyclohexylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AI63534
ChemicalName
tert-Butyl trans-4-ethynylcyclohexylcarbamate
CasNumber
947141-86-8
MolecularFormula
C13H21NO2
MolecularWeight
223.3113
MdlNumber
MFCD12963985
Smiles
C#C[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AI63534
ChemicalName: tert-Butyl trans-4-ethynylcyclohexylcarbamate
CasNumber: 947141-86-8
MolecularFormula: C13H21NO2
MolecularWeight: 223.3113
MdlNumber: MFCD12963985
Smiles: C#C[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AI63534
ChemicalName:
tert-Butyl trans-4-ethynylcyclohexylcarbamate
CasNumber:
947141-86-8
MolecularFormula:
C13H21NO2
MolecularWeight:
223.3113
MdlNumber:
MFCD12963985
Smiles:
C#C[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.6
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Smiles: [O-][N+](=O)c1c(O)cc(nc1O)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[O-][N+](=O)c1c(O)cc(nc1O)C(F)(F)F
Complexity:
__
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: [O-][N+](=O)c1c(Cl)cc([nH]c1=O)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][N+](=O)c1c(Cl)cc([nH]c1=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Nc1c(Br)cc(nc1Cl)C(F)(F)F
Complexity: __
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HydrogenBondAcceptorCount: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Nc1c(Br)cc(nc1Cl)C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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