AB54545
953411-05-7 | 1-BOC-7-(methoxycarbonyl)indole-2-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AB54545
ChemicalName
1-BOC-7-(methoxycarbonyl)indole-2-boronic acid
CasNumber
953411-05-7
MolecularFormula
C15H18BNO6
MolecularWeight
319.1175
MdlNumber
MFCD11504860
Smiles
COC(=O)c1cccc2c1n(C(=O)OC(C)(C)C)c(c2)B(O)O
Complexity
463
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
5
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CatalogNumber: AB54545
ChemicalName: 1-BOC-7-(methoxycarbonyl)indole-2-boronic acid
CasNumber: 953411-05-7
MolecularFormula: C15H18BNO6
MolecularWeight: 319.1175
MdlNumber: MFCD11504860
Smiles: COC(=O)c1cccc2c1n(C(=O)OC(C)(C)C)c(c2)B(O)O
Complexity: 463
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AB54545
ChemicalName:
1-BOC-7-(methoxycarbonyl)indole-2-boronic acid
CasNumber:
953411-05-7
MolecularFormula:
C15H18BNO6
MolecularWeight:
319.1175
MdlNumber:
MFCD11504860
Smiles:
COC(=O)c1cccc2c1n(C(=O)OC(C)(C)C)c(c2)B(O)O
Complexity:
463
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
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Smiles: OB(c1ccnn1C1CCCCO1)O
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Smiles:
OB(c1ccnn1C1CCCCO1)O
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Smiles: FC(C(Oc1ccccc1)(F)F)F
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Smiles:
FC(C(Oc1ccccc1)(F)F)F
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Smiles: c1ccc2c(n1)c1ncccc1cc2.O=C(c1cccs1)/C=C(/C(F)(F)F)O[Eu](O/C(=CC(=O)c1cccs1)/C(F)(F)F)O/C(=CC(=O)c1cccs1)/C(F)(F)F
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MolecularFormula:
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MdlNumber:
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Smiles:
c1ccc2c(n1)c1ncccc1cc2.O=C(c1cccs1)/C=C(/C(F)(F)F)O[Eu](O/C(=CC(=O)c1cccs1)/C(F)(F)F)O/C(=CC(=O)c1cccs1)/C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__