AI08058
1100052-63-8 | 3-(Methoxycarbonyl)indole-5-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI08058
ChemicalName
3-(Methoxycarbonyl)indole-5-boronic acid pinacol ester
CasNumber
1100052-63-8
MolecularFormula
C16H20BNO4
MolecularWeight
301.1453
MdlNumber
MFCD20486631
Smiles
COC(=O)c1c[nH]c2c1cc(cc2)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: AI08058
ChemicalName: 3-(Methoxycarbonyl)indole-5-boronic acid pinacol ester
CasNumber: 1100052-63-8
MolecularFormula: C16H20BNO4
MolecularWeight: 301.1453
MdlNumber: MFCD20486631
Smiles: COC(=O)c1c[nH]c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity: 437
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AI08058
ChemicalName:
3-(Methoxycarbonyl)indole-5-boronic acid pinacol ester
CasNumber:
1100052-63-8
MolecularFormula:
C16H20BNO4
MolecularWeight:
301.1453
MdlNumber:
MFCD20486631
Smiles:
COC(=O)c1c[nH]c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity:
437
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
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Smiles: COC(=O)c1cn(c2c1cc(Br)cc2)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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Smiles:
COC(=O)c1cn(c2c1cc(Br)cc2)C(=O)OC(C)(C)C
Complexity:
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Smiles: OB(c1cccc(c1)c1ccn[nH]1)O
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Smiles:
OB(c1cccc(c1)c1ccn[nH]1)O
Complexity:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Smiles: O=C1C(=O)c2c(N1C/C=C/c1ccccc1)cccc2
Complexity: __
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HeavyAtomCount: __
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CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1C(=O)c2c(N1C/C=C/c1ccccc1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__