AA06562
10169-55-8 | 4-Acetyldiphenyl sulfide
Manufacturer: A2B Chem
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CatalogNumber
AA06562
ChemicalName
4-Acetyldiphenyl sulfide
CasNumber
10169-55-8
MolecularFormula
C14H12OS
MolecularWeight
228.3095
MdlNumber
MFCD00026227
Smiles
CC(=O)c1ccc(cc1)Sc1ccccc1
NscNumber
158592
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AA06562
ChemicalName: 4-Acetyldiphenyl sulfide
CasNumber: 10169-55-8
MolecularFormula: C14H12OS
MolecularWeight: 228.3095
MdlNumber: MFCD00026227
Smiles: CC(=O)c1ccc(cc1)Sc1ccccc1
NscNumber: 158592
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AA06562
ChemicalName:
4-Acetyldiphenyl sulfide
CasNumber:
10169-55-8
MolecularFormula:
C14H12OS
MolecularWeight:
228.3095
MdlNumber:
MFCD00026227
Smiles:
CC(=O)c1ccc(cc1)Sc1ccccc1
NscNumber:
158592
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: AA06564
ChemicalName: 5-Bromo-2-hydroxy-3-nitrobenzoic acid
CasNumber: 10169-50-3
MolecularFormula: C7H4BrNO5
MolecularWeight: 262.0144
MdlNumber: MFCD00463872
Smiles: Brc1cc([N+](=O)[O-])c(c(c1)C(=O)O)O
NscNumber: __
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AA06564
ChemicalName:
5-Bromo-2-hydroxy-3-nitrobenzoic acid
CasNumber:
10169-50-3
MolecularFormula:
C7H4BrNO5
MolecularWeight:
262.0144
MdlNumber:
MFCD00463872
Smiles:
Brc1cc([N+](=O)[O-])c(c(c1)C(=O)O)O
NscNumber:
__
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(Cc1c(Cl)cccc1C(c1ccccc1)(c1ccccc1)O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(Cc1c(Cl)cccc1C(c1ccccc1)(c1ccccc1)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA06567
ChemicalName: 3-Fluoro-5-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber: 1016979-31-9
MolecularFormula: C14H18BFO4
MolecularWeight: 280.0997
MdlNumber: MFCD12546616
Smiles: COC(=O)c1cc(cc(c1)F)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AA06567
ChemicalName:
3-Fluoro-5-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber:
1016979-31-9
MolecularFormula:
C14H18BFO4
MolecularWeight:
280.0997
MdlNumber:
MFCD12546616
Smiles:
COC(=O)c1cc(cc(c1)F)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
__