AI08197
1107603-38-2 | 1-(P-Toluenesulfonyl)indole-2-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI08197
ChemicalName
1-(P-Toluenesulfonyl)indole-2-boronic acid
CasNumber
1107603-38-2
MolecularFormula
C15H14BNO4S
MolecularWeight
315.152
MdlNumber
MFCD08701721
Smiles
Cc1ccc(cc1)S(=O)(=O)n1c(cc2c1cccc2)B(O)O
Complexity
484
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AI08197
ChemicalName: 1-(P-Toluenesulfonyl)indole-2-boronic acid
CasNumber: 1107603-38-2
MolecularFormula: C15H14BNO4S
MolecularWeight: 315.152
MdlNumber: MFCD08701721
Smiles: Cc1ccc(cc1)S(=O)(=O)n1c(cc2c1cccc2)B(O)O
Complexity: 484
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AI08197
ChemicalName:
1-(P-Toluenesulfonyl)indole-2-boronic acid
CasNumber:
1107603-38-2
MolecularFormula:
C15H14BNO4S
MolecularWeight:
315.152
MdlNumber:
MFCD08701721
Smiles:
Cc1ccc(cc1)S(=O)(=O)n1c(cc2c1cccc2)B(O)O
Complexity:
484
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AI08198
ChemicalName: 3-(6-Methoxy-3-pyridinyl)propanoic acid
CasNumber: 1107609-36-8
MolecularFormula: C9H11NO3
MolecularWeight: 181.1885
MdlNumber: MFCD18259982
Smiles: COc1ccc(cn1)CCC(=O)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AI08198
ChemicalName:
3-(6-Methoxy-3-pyridinyl)propanoic acid
CasNumber:
1107609-36-8
MolecularFormula:
C9H11NO3
MolecularWeight:
181.1885
MdlNumber:
MFCD18259982
Smiles:
COc1ccc(cn1)CCC(=O)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
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Smiles: CC(C)(C)OC(=O)N1CC2C(C1)ON=C2CO
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CC(C)(C)OC(=O)N1CC2C(C1)ON=C2CO
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Smiles: COC(=O)c1cccc(c1Br)Cl
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Smiles:
COC(=O)c1cccc(c1Br)Cl
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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