AA31194
1256360-06-1 | 1-(Ethoxycarbonyl)pyrrole-3-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA31194
ChemicalName
1-(Ethoxycarbonyl)pyrrole-3-boronic acid, pinacol ester
CasNumber
1256360-06-1
MolecularFormula
C13H20BNO4
MolecularWeight
265.1132
MdlNumber
MFCD16036144
Smiles
CCOC(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
343
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
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CatalogNumber: AA31194
ChemicalName: 1-(Ethoxycarbonyl)pyrrole-3-boronic acid, pinacol ester
CasNumber: 1256360-06-1
MolecularFormula: C13H20BNO4
MolecularWeight: 265.1132
MdlNumber: MFCD16036144
Smiles: CCOC(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 343
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
CatalogNumber:
AA31194
ChemicalName:
1-(Ethoxycarbonyl)pyrrole-3-boronic acid, pinacol ester
CasNumber:
1256360-06-1
MolecularFormula:
C13H20BNO4
MolecularWeight:
265.1132
MdlNumber:
MFCD16036144
Smiles:
CCOC(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
343
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
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Smiles: CN1CCC(CC1)(C(=O)O)c1ccc2c(c1)cccc2
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Smiles:
CN1CCC(CC1)(C(=O)O)c1ccc2c(c1)cccc2
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Smiles: COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3-c4c(C(c3c1)(F)F)cc(cc4)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)OC(C)(C)C)C3)CC2)C(C)C
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Smiles:
COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3-c4c(C(c3c1)(F)F)cc(cc4)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)OC(C)(C)C)C3)CC2)C(C)C
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Smiles: O=C(N1[C@@H]2CC[C@H]([C@H]1c1nc3c([nH]1)cc(cc3)B1OC(C(O1)(C)C)(C)C)C2)OC(C)(C)C
Complexity: __
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Smiles:
O=C(N1[C@@H]2CC[C@H]([C@H]1c1nc3c([nH]1)cc(cc3)B1OC(C(O1)(C)C)(C)C)C2)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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