AI61571
919119-72-5 | 1H-Indole-2,7-diboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI61571
ChemicalName
1H-Indole-2,7-diboronic acid, pinacol ester
CasNumber
919119-72-5
MolecularFormula
C20H29B2NO4
MolecularWeight
369.0706
MdlNumber
MFCD12405487
Smiles
CC1(C)OB(OC1(C)C)c1cc2c([nH]1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity
563
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AI61571
ChemicalName: 1H-Indole-2,7-diboronic acid, pinacol ester
CasNumber: 919119-72-5
MolecularFormula: C20H29B2NO4
MolecularWeight: 369.0706
MdlNumber: MFCD12405487
Smiles: CC1(C)OB(OC1(C)C)c1cc2c([nH]1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity: 563
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AI61571
ChemicalName:
1H-Indole-2,7-diboronic acid, pinacol ester
CasNumber:
919119-72-5
MolecularFormula:
C20H29B2NO4
MolecularWeight:
369.0706
MdlNumber:
MFCD12405487
Smiles:
CC1(C)OB(OC1(C)C)c1cc2c([nH]1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity:
563
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
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Smiles: CCCCCCCCCCCCC(C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
CCCCCCCCCCCCC(C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
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Smiles: CC(=O)c1ccc(c(c1)I)Br
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Smiles:
CC(=O)c1ccc(c(c1)I)Br
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: CC1=CC(=O)NC=C1
Complexity: 167
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC1=CC(=O)NC=C1
Complexity:
167
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__