AF03738
185619-66-3 | tert-Butyl 3-ethynylphenylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AF03738
ChemicalName
tert-Butyl 3-ethynylphenylcarbamate
CasNumber
185619-66-3
MolecularFormula
C13H15NO2
MolecularWeight
217.2637
MdlNumber
MFCD14585306
Smiles
C#Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AF03738
ChemicalName: tert-Butyl 3-ethynylphenylcarbamate
CasNumber: 185619-66-3
MolecularFormula: C13H15NO2
MolecularWeight: 217.2637
MdlNumber: MFCD14585306
Smiles: C#Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AF03738
ChemicalName:
tert-Butyl 3-ethynylphenylcarbamate
CasNumber:
185619-66-3
MolecularFormula:
C13H15NO2
MolecularWeight:
217.2637
MdlNumber:
MFCD14585306
Smiles:
C#Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
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Smiles: N#CCC(=O)Nc1cccc(c1)F
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HeavyAtomCount: __
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RotatableBondCount: __
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Smiles:
N#CCC(=O)Nc1cccc(c1)F
Complexity:
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Smiles: Cc1ccc(cc1)OC(=O)C(=C)C
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Smiles:
Cc1ccc(cc1)OC(=O)C(=C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: FC(c1ccc(nn1)Br)(F)F
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1ccc(nn1)Br)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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