AA45188
129271-98-3 | 1-(Phenylsulfonyl)-3-indoleboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA45188
ChemicalName
1-(Phenylsulfonyl)-3-indoleboronic acid
CasNumber
129271-98-3
MolecularFormula
C14H12BNO4S
MolecularWeight
301.12538000000006
MdlNumber
MFCD02681892
Smiles
OB(c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1)O
Complexity
458
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AA45188
ChemicalName: 1-(Phenylsulfonyl)-3-indoleboronic acid
CasNumber: 129271-98-3
MolecularFormula: C14H12BNO4S
MolecularWeight: 301.12538000000006
MdlNumber: MFCD02681892
Smiles: OB(c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1)O
Complexity: 458
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AA45188
ChemicalName:
1-(Phenylsulfonyl)-3-indoleboronic acid
CasNumber:
129271-98-3
MolecularFormula:
C14H12BNO4S
MolecularWeight:
301.12538000000006
MdlNumber:
MFCD02681892
Smiles:
OB(c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1)O
Complexity:
458
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
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Smiles: ClCOC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
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Smiles:
ClCOC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
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Smiles: BrCCCc1cccc(c1)C(F)(F)F
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Smiles:
BrCCCc1cccc(c1)C(F)(F)F
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