AF68228
317829-73-5 | tert-Butyl 3-acetylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF68228
ChemicalName
tert-Butyl 3-acetylbenzoate
CasNumber
317829-73-5
MolecularFormula
C13H16O3
MolecularWeight
220.2643
MdlNumber
MFCD17676592
Smiles
O=C(c1cccc(c1)C(=O)C)OC(C)(C)C
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.9
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CatalogNumber: AF68228
ChemicalName: tert-Butyl 3-acetylbenzoate
CasNumber: 317829-73-5
MolecularFormula: C13H16O3
MolecularWeight: 220.2643
MdlNumber: MFCD17676592
Smiles: O=C(c1cccc(c1)C(=O)C)OC(C)(C)C
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AF68228
ChemicalName:
tert-Butyl 3-acetylbenzoate
CasNumber:
317829-73-5
MolecularFormula:
C13H16O3
MolecularWeight:
220.2643
MdlNumber:
MFCD17676592
Smiles:
O=C(c1cccc(c1)C(=O)C)OC(C)(C)C
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(=O)C(C1(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(=O)C(C1(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)S(=O)(=O)C)N
Complexity: 247
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)S(=O)(=O)C)N
Complexity:
247
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: AF68231
ChemicalName: 3-Fluoro-2-nitrophenol
CasNumber: 385-01-3
MolecularFormula: C6H4FNO3
MolecularWeight: 157.0992632
MdlNumber: MFCD07368753
Smiles: O=N(=O)c1c(O)cccc1F
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AF68231
ChemicalName:
3-Fluoro-2-nitrophenol
CasNumber:
385-01-3
MolecularFormula:
C6H4FNO3
MolecularWeight:
157.0992632
MdlNumber:
MFCD07368753
Smiles:
O=N(=O)c1c(O)cccc1F
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
1.5