AX55200
2096339-82-9 | 4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55200
ChemicalName
4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid
CasNumber
2096339-82-9
MolecularFormula
C12H15BF3NO4S
MolecularWeight
337.123
MdlNumber
MFCD18783153
Smiles
OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCCC1)O
Complexity
474
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AX55200
ChemicalName: 4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid
CasNumber: 2096339-82-9
MolecularFormula: C12H15BF3NO4S
MolecularWeight: 337.123
MdlNumber: MFCD18783153
Smiles: OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCCC1)O
Complexity: 474
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AX55200
ChemicalName:
4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid
CasNumber:
2096339-82-9
MolecularFormula:
C12H15BF3NO4S
MolecularWeight:
337.123
MdlNumber:
MFCD18783153
Smiles:
OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCCC1)O
Complexity:
474
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1c(F)cc(cc1F)O[Si](C(C)(C)C)(C)C)O
Complexity: 298
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1c(F)cc(cc1F)O[Si](C(C)(C)C)(C)C)O
Complexity:
298
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AX55202
ChemicalName: 1-(2-Methoxy-5-nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber: 2096995-75-2
MolecularFormula: C20H24BN3O6
MolecularWeight: 413.2321
MdlNumber: MFCD20231482
Smiles: COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity: 625
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55202
ChemicalName:
1-(2-Methoxy-5-nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber:
2096995-75-2
MolecularFormula:
C20H24BN3O6
MolecularWeight:
413.2321
MdlNumber:
MFCD20231482
Smiles:
COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity:
625
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AX55203
ChemicalName: 2-Fluoro-5-hydroxy-3-(trifluoromethyl)phenylboronic acid
CasNumber: 2096339-99-8
MolecularFormula: C7H5BF4O3
MolecularWeight: 223.9174
MdlNumber: MFCD20441803
Smiles: Oc1cc(B(O)O)c(c(c1)C(F)(F)F)F
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AX55203
ChemicalName:
2-Fluoro-5-hydroxy-3-(trifluoromethyl)phenylboronic acid
CasNumber:
2096339-99-8
MolecularFormula:
C7H5BF4O3
MolecularWeight:
223.9174
MdlNumber:
MFCD20441803
Smiles:
Oc1cc(B(O)O)c(c(c1)C(F)(F)F)F
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
1