AB50816
943-27-1 | 4'-tert-Butylacetophenone
Manufacturer: A2B Chem
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CatalogNumber
AB50816
ChemicalName
4'-tert-Butylacetophenone
CasNumber
943-27-1
MolecularFormula
C12H16O
MolecularWeight
176.2548
MdlNumber
MFCD00017256
Smiles
CC(=O)c1ccc(cc1)C(C)(C)C
NscNumber
826
Complexity
180
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AB50816
ChemicalName: 4'-tert-Butylacetophenone
CasNumber: 943-27-1
MolecularFormula: C12H16O
MolecularWeight: 176.2548
MdlNumber: MFCD00017256
Smiles: CC(=O)c1ccc(cc1)C(C)(C)C
NscNumber: 826
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AB50816
ChemicalName:
4'-tert-Butylacetophenone
CasNumber:
943-27-1
MolecularFormula:
C12H16O
MolecularWeight:
176.2548
MdlNumber:
MFCD00017256
Smiles:
CC(=O)c1ccc(cc1)C(C)(C)C
NscNumber:
826
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=Cc1ccc(cc1)c1nc2c(n1C)cccc2
NscNumber: __
Complexity: 294
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=Cc1ccc(cc1)c1nc2c(n1C)cccc2
NscNumber:
__
Complexity:
294
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: AB50818
ChemicalName: 4-(Cyclopentylcarbamoyl)-3-fluorophenylboronic acid
CasNumber: 957034-70-7
MolecularFormula: C12H15BFNO3
MolecularWeight: 251.0618
MdlNumber: MFCD09475825
Smiles: O=C(c1ccc(cc1F)B(O)O)NC1CCCC1
NscNumber: __
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB50818
ChemicalName:
4-(Cyclopentylcarbamoyl)-3-fluorophenylboronic acid
CasNumber:
957034-70-7
MolecularFormula:
C12H15BFNO3
MolecularWeight:
251.0618
MdlNumber:
MFCD09475825
Smiles:
O=C(c1ccc(cc1F)B(O)O)NC1CCCC1
NscNumber:
__
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)C)N
NscNumber: __
Complexity: 90.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)C)N
NscNumber:
__
Complexity:
90.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7