AA53916
1217500-64-5 | 5-(Methoxycarbonyl)pyrrole-2-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA53916
ChemicalName
5-(Methoxycarbonyl)pyrrole-2-boronic acid
CasNumber
1217500-64-5
MolecularFormula
C6H8BNO4
MolecularWeight
168.943
MdlNumber
MFCD15143454
Smiles
COC(=O)c1ccc([nH]1)B(O)O
Complexity
175
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AA53916
ChemicalName: 5-(Methoxycarbonyl)pyrrole-2-boronic acid
CasNumber: 1217500-64-5
MolecularFormula: C6H8BNO4
MolecularWeight: 168.943
MdlNumber: MFCD15143454
Smiles: COC(=O)c1ccc([nH]1)B(O)O
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AA53916
ChemicalName:
5-(Methoxycarbonyl)pyrrole-2-boronic acid
CasNumber:
1217500-64-5
MolecularFormula:
C6H8BNO4
MolecularWeight:
168.943
MdlNumber:
MFCD15143454
Smiles:
COC(=O)c1ccc([nH]1)B(O)O
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AA53917
ChemicalName: 2-(Methoxycarbonyl)-5-(trifluoromethyl)phenylboronic acid
CasNumber: 1217500-62-3
MolecularFormula: C9H8BF3O4
MolecularWeight: 247.9636
MdlNumber: MFCD12025964
Smiles: COC(=O)c1ccc(cc1B(O)O)C(F)(F)F
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AA53917
ChemicalName:
2-(Methoxycarbonyl)-5-(trifluoromethyl)phenylboronic acid
CasNumber:
1217500-62-3
MolecularFormula:
C9H8BF3O4
MolecularWeight:
247.9636
MdlNumber:
MFCD12025964
Smiles:
COC(=O)c1ccc(cc1B(O)O)C(F)(F)F
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AA53918
ChemicalName: Oxindole-6-boronic acid
CasNumber: 1217500-61-2
MolecularFormula: C8H8BNO3
MolecularWeight: 176.965
MdlNumber: MFCD12913936
Smiles: O=C1Cc2c(N1)cc(cc2)B(O)O
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AA53918
ChemicalName:
Oxindole-6-boronic acid
CasNumber:
1217500-61-2
MolecularFormula:
C8H8BNO3
MolecularWeight:
176.965
MdlNumber:
MFCD12913936
Smiles:
O=C1Cc2c(N1)cc(cc2)B(O)O
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: AA53919
ChemicalName: 1-BOC-5-(methoxycarbonyl)indole-2-boronic acid
CasNumber: 1217500-60-1
MolecularFormula: C15H18BNO6
MolecularWeight: 319.11751999999996
MdlNumber: MFCD12756415
Smiles: COC(=O)c1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)B(O)O
Complexity: 463
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AA53919
ChemicalName:
1-BOC-5-(methoxycarbonyl)indole-2-boronic acid
CasNumber:
1217500-60-1
MolecularFormula:
C15H18BNO6
MolecularWeight:
319.11751999999996
MdlNumber:
MFCD12756415
Smiles:
COC(=O)c1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)B(O)O
Complexity:
463
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5