AB54962
1072946-51-0 | 3-(1,3-Dioxolan-2-yl)-5-(trifluoromethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AB54962
ChemicalName
3-(1,3-Dioxolan-2-yl)-5-(trifluoromethyl)phenylboronic acid
CasNumber
1072946-51-0
MolecularFormula
C10H10BF3O4
MolecularWeight
261.9902
MdlNumber
MFCD00008782
Smiles
OB(c1cc(cc(c1)C(F)(F)F)C1OCCO1)O
Complexity
281
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AB54962
ChemicalName: 3-(1,3-Dioxolan-2-yl)-5-(trifluoromethyl)phenylboronic acid
CasNumber: 1072946-51-0
MolecularFormula: C10H10BF3O4
MolecularWeight: 261.9902
MdlNumber: MFCD00008782
Smiles: OB(c1cc(cc(c1)C(F)(F)F)C1OCCO1)O
Complexity: 281
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AB54962
ChemicalName:
3-(1,3-Dioxolan-2-yl)-5-(trifluoromethyl)phenylboronic acid
CasNumber:
1072946-51-0
MolecularFormula:
C10H10BF3O4
MolecularWeight:
261.9902
MdlNumber:
MFCD00008782
Smiles:
OB(c1cc(cc(c1)C(F)(F)F)C1OCCO1)O
Complexity:
281
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: AB54963
ChemicalName: 3-(4-Carboethoxybutyl)phenylboronic acid
CasNumber: 1072946-57-6
MolecularFormula: C13H19BO4
MolecularWeight: 250.0986
MdlNumber: MFCD11053845
Smiles: CCOC(=O)CCCCc1cccc(c1)B(O)O
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 8
CatalogNumber:
AB54963
ChemicalName:
3-(4-Carboethoxybutyl)phenylboronic acid
CasNumber:
1072946-57-6
MolecularFormula:
C13H19BO4
MolecularWeight:
250.0986
MdlNumber:
MFCD11053845
Smiles:
CCOC(=O)CCCCc1cccc(c1)B(O)O
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
8
CatalogNumber: AB54964
ChemicalName: 3-(Cyclohexylcarbamoyl)-4-fluorophenylboronic acid
CasNumber: 874219-24-6
MolecularFormula: C13H17BFNO3
MolecularWeight: 265.0884
MdlNumber: MFCD08235043
Smiles: OB(c1ccc(c(c1)C(=O)NC1CCCCC1)F)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB54964
ChemicalName:
3-(Cyclohexylcarbamoyl)-4-fluorophenylboronic acid
CasNumber:
874219-24-6
MolecularFormula:
C13H17BFNO3
MolecularWeight:
265.0884
MdlNumber:
MFCD08235043
Smiles:
OB(c1ccc(c(c1)C(=O)NC1CCCCC1)F)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AB54965
ChemicalName: 3-Ethylsulfinylphenylboronic acid
CasNumber: 1072952-07-8
MolecularFormula: C8H11BO3S
MolecularWeight: 198.0471
MdlNumber: MFCD03092933
Smiles: CCS(=O)c1cccc(c1)B(O)O
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AB54965
ChemicalName:
3-Ethylsulfinylphenylboronic acid
CasNumber:
1072952-07-8
MolecularFormula:
C8H11BO3S
MolecularWeight:
198.0471
MdlNumber:
MFCD03092933
Smiles:
CCS(=O)c1cccc(c1)B(O)O
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3