AI30011
1318768-42-1 | 3-(Isopropanesulfonyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI30011
ChemicalName
3-(Isopropanesulfonyl)phenylboronic acid
CasNumber
1318768-42-1
MolecularFormula
C9H13BO4S
MolecularWeight
228.0731
MdlNumber
MFCD27935694
Smiles
OB(c1cccc(c1)S(=O)(=O)C(C)C)O
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AI30011
ChemicalName: 3-(Isopropanesulfonyl)phenylboronic acid
CasNumber: 1318768-42-1
MolecularFormula: C9H13BO4S
MolecularWeight: 228.0731
MdlNumber: MFCD27935694
Smiles: OB(c1cccc(c1)S(=O)(=O)C(C)C)O
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AI30011
ChemicalName:
3-(Isopropanesulfonyl)phenylboronic acid
CasNumber:
1318768-42-1
MolecularFormula:
C9H13BO4S
MolecularWeight:
228.0731
MdlNumber:
MFCD27935694
Smiles:
OB(c1cccc(c1)S(=O)(=O)C(C)C)O
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)N[C@H]([C@@H](C(=O)O)O)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@H]([C@@H](C(=O)O)O)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)N[C@H]([C@H](C(=O)O)O)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@H]([C@H](C(=O)O)O)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AI30014
ChemicalName: 1-(4-Bromophenyl)-3-methylbutan-1-one
CasNumber: 131895-07-3
MolecularFormula: C11H13BrO
MolecularWeight: 241.1243
MdlNumber: MFCD11210643
Smiles: CC(CC(=O)c1ccc(cc1)Br)C
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AI30014
ChemicalName:
1-(4-Bromophenyl)-3-methylbutan-1-one
CasNumber:
131895-07-3
MolecularFormula:
C11H13BrO
MolecularWeight:
241.1243
MdlNumber:
MFCD11210643
Smiles:
CC(CC(=O)c1ccc(cc1)Br)C
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
3