AX55100
2096332-50-0 | 3-(Isopropylthio)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55100
ChemicalName
3-(Isopropylthio)phenylboronic acid
CasNumber
2096332-50-0
MolecularFormula
C9H13BO2S
MolecularWeight
196.0743
MdlNumber
MFCD18837605
Smiles
CC(Sc1cccc(c1)B(O)O)C
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AX55100
ChemicalName: 3-(Isopropylthio)phenylboronic acid
CasNumber: 2096332-50-0
MolecularFormula: C9H13BO2S
MolecularWeight: 196.0743
MdlNumber: MFCD18837605
Smiles: CC(Sc1cccc(c1)B(O)O)C
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AX55100
ChemicalName:
3-(Isopropylthio)phenylboronic acid
CasNumber:
2096332-50-0
MolecularFormula:
C9H13BO2S
MolecularWeight:
196.0743
MdlNumber:
MFCD18837605
Smiles:
CC(Sc1cccc(c1)B(O)O)C
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(NS(=O)(=O)c1cc(Br)ccc1F)(C)C
Complexity: 334
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(NS(=O)(=O)c1cc(Br)ccc1F)(C)C
Complexity:
334
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCN(CC1)S(=O)(=O)c1cc(Br)ccc1F
Complexity: 378
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCN(CC1)S(=O)(=O)c1cc(Br)ccc1F
Complexity:
378
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AX55103
ChemicalName: 2-Hydroxy-6-trifluoromethylphenylboronic acid
CasNumber: 2096333-79-6
MolecularFormula: C7H6BF3O3
MolecularWeight: 205.9269
MdlNumber: MFCD18397693
Smiles: OB(c1c(O)cccc1C(F)(F)F)O
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AX55103
ChemicalName:
2-Hydroxy-6-trifluoromethylphenylboronic acid
CasNumber:
2096333-79-6
MolecularFormula:
C7H6BF3O3
MolecularWeight:
205.9269
MdlNumber:
MFCD18397693
Smiles:
OB(c1c(O)cccc1C(F)(F)F)O
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
1