AD64386
111291-97-5 | tert-Butyl 4-ethynylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD64386
ChemicalName
tert-Butyl 4-ethynylbenzoate
CasNumber
111291-97-5
MolecularFormula
C13H14O2
MolecularWeight
202.2491
MdlNumber
MFCD09037869
Smiles
C#Cc1ccc(cc1)C(=O)OC(C)(C)C
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
3
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CatalogNumber: AD64386
ChemicalName: tert-Butyl 4-ethynylbenzoate
CasNumber: 111291-97-5
MolecularFormula: C13H14O2
MolecularWeight: 202.2491
MdlNumber: MFCD09037869
Smiles: C#Cc1ccc(cc1)C(=O)OC(C)(C)C
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AD64386
ChemicalName:
tert-Butyl 4-ethynylbenzoate
CasNumber:
111291-97-5
MolecularFormula:
C13H14O2
MolecularWeight:
202.2491
MdlNumber:
MFCD09037869
Smiles:
C#Cc1ccc(cc1)C(=O)OC(C)(C)C
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COc1nc(CN)ccc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
COc1nc(CN)ccc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Brc1cscc1S(=O)(=O)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
Brc1cscc1S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CC(C(=O)C(C(C(CC(=CC(=O)O)C)C)O)C)C)C=CCC(C=C(C=CC1CC=CC(=O)O1)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CC(C(=O)C(C(C(CC(=CC(=O)O)C)C)O)C)C)C=CCC(C=C(C=CC1CC=CC(=O)O1)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__