AA31167
1256359-21-3 | 6-Methoxycarbonylindole-2-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA31167
ChemicalName
6-Methoxycarbonylindole-2-boronic acid pinacol ester
CasNumber
1256359-21-3
MolecularFormula
C16H20BNO4
MolecularWeight
301.1453
MdlNumber
MFCD11858368
Smiles
COC(=O)c1ccc2c(c1)[nH]c(c2)B1OC(C(O1)(C)C)(C)C
Complexity
437
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AA31167
ChemicalName: 6-Methoxycarbonylindole-2-boronic acid pinacol ester
CasNumber: 1256359-21-3
MolecularFormula: C16H20BNO4
MolecularWeight: 301.1453
MdlNumber: MFCD11858368
Smiles: COC(=O)c1ccc2c(c1)[nH]c(c2)B1OC(C(O1)(C)C)(C)C
Complexity: 437
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AA31167
ChemicalName:
6-Methoxycarbonylindole-2-boronic acid pinacol ester
CasNumber:
1256359-21-3
MolecularFormula:
C16H20BNO4
MolecularWeight:
301.1453
MdlNumber:
MFCD11858368
Smiles:
COC(=O)c1ccc2c(c1)[nH]c(c2)B1OC(C(O1)(C)C)(C)C
Complexity:
437
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: AA31168
ChemicalName: 3-bromo-5-methylthiophenylboronic acid pinacol ester
CasNumber: 1256359-20-2
MolecularFormula: C13H18BBrO2S
MolecularWeight: 329.0608
MdlNumber: MFCD16618966
Smiles: CSc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AA31168
ChemicalName:
3-bromo-5-methylthiophenylboronic acid pinacol ester
CasNumber:
1256359-20-2
MolecularFormula:
C13H18BBrO2S
MolecularWeight:
329.0608
MdlNumber:
MFCD16618966
Smiles:
CSc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
CatalogNumber: AA31169
ChemicalName: 4-Cyanoindole-2-boronic acid pincol ester
CasNumber: 1256359-19-9
MolecularFormula: C15H17BN2O2
MolecularWeight: 268.1187
MdlNumber: MFCD11858395
Smiles: N#Cc1cccc2c1cc([nH]2)B1OC(C(O1)(C)C)(C)C
Complexity: 426
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AA31169
ChemicalName:
4-Cyanoindole-2-boronic acid pincol ester
CasNumber:
1256359-19-9
MolecularFormula:
C15H17BN2O2
MolecularWeight:
268.1187
MdlNumber:
MFCD11858395
Smiles:
N#Cc1cccc2c1cc([nH]2)B1OC(C(O1)(C)C)(C)C
Complexity:
426
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)F
Complexity: 295
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)F
Complexity:
295
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__