AD90641
874219-18-8 | 4-Methoxy-3-(piperidin-1-ylsulfonyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AD90641
ChemicalName
4-Methoxy-3-(piperidin-1-ylsulfonyl)phenylboronic acid
CasNumber
874219-18-8
MolecularFormula
C12H18BNO5S
MolecularWeight
299.151
MdlNumber
MFCD30587893
Smiles
COc1ccc(cc1S(=O)(=O)N1CCCCC1)B(O)O
Complexity
405
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AD90641
ChemicalName: 4-Methoxy-3-(piperidin-1-ylsulfonyl)phenylboronic acid
CasNumber: 874219-18-8
MolecularFormula: C12H18BNO5S
MolecularWeight: 299.151
MdlNumber: MFCD30587893
Smiles: COc1ccc(cc1S(=O)(=O)N1CCCCC1)B(O)O
Complexity: 405
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AD90641
ChemicalName:
4-Methoxy-3-(piperidin-1-ylsulfonyl)phenylboronic acid
CasNumber:
874219-18-8
MolecularFormula:
C12H18BNO5S
MolecularWeight:
299.151
MdlNumber:
MFCD30587893
Smiles:
COc1ccc(cc1S(=O)(=O)N1CCCCC1)B(O)O
Complexity:
405
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AD90642
ChemicalName: 2-(Morpholine-4-carbonyl)phenylboronic acid
CasNumber: 874219-17-7
MolecularFormula: C11H14BNO4
MolecularWeight: 235.0442
MdlNumber: MFCD08235036
Smiles: O=C(c1ccccc1B(O)O)N1CCOCC1
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AD90642
ChemicalName:
2-(Morpholine-4-carbonyl)phenylboronic acid
CasNumber:
874219-17-7
MolecularFormula:
C11H14BNO4
MolecularWeight:
235.0442
MdlNumber:
MFCD08235036
Smiles:
O=C(c1ccccc1B(O)O)N1CCOCC1
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC(=CCc1cc(COC(=O)[C@]2(C)OC(=O)C(=C2c2ccc(cc2)O)O)ccc1O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=CCc1cc(COC(=O)[C@]2(C)OC(=O)C(=C2c2ccc(cc2)O)O)ccc1O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: AD90661
ChemicalName: 3-(4-Fluoro-2-methylphenyl)benzoic acid
CasNumber: 874133-65-0
MolecularFormula: C14H11FO2
MolecularWeight: 230.23434320000007
MdlNumber: MFCD12859239
Smiles: Fc1ccc(c(c1)C)c1cccc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AD90661
ChemicalName:
3-(4-Fluoro-2-methylphenyl)benzoic acid
CasNumber:
874133-65-0
MolecularFormula:
C14H11FO2
MolecularWeight:
230.23434320000007
MdlNumber:
MFCD12859239
Smiles:
Fc1ccc(c(c1)C)c1cccc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__