AH50371
787591-43-9 | 3-Isocyanatophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AH50371
ChemicalName
3-Isocyanatophenylboronic acid, pinacol ester
CasNumber
787591-43-9
MolecularFormula
C13H16BNO3
MolecularWeight
245.08204
MdlNumber
MFCD06659827
Smiles
O=C=Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
347
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
2
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CatalogNumber: AH50371
ChemicalName: 3-Isocyanatophenylboronic acid, pinacol ester
CasNumber: 787591-43-9
MolecularFormula: C13H16BNO3
MolecularWeight: 245.08204
MdlNumber: MFCD06659827
Smiles: O=C=Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 347
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
CatalogNumber:
AH50371
ChemicalName:
3-Isocyanatophenylboronic acid, pinacol ester
CasNumber:
787591-43-9
MolecularFormula:
C13H16BNO3
MolecularWeight:
245.08204
MdlNumber:
MFCD06659827
Smiles:
O=C=Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
347
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
CatalogNumber: __
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Smiles: CCOC(=O)/C(=C/[C@H]1COC(O1)(C)C)/C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CCOC(=O)/C(=C/[C@H]1COC(O1)(C)C)/C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: CC(CC(C(=O)NCCC(C)C)NC(=O)C1OC1C(=O)O)C
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Smiles:
CC(CC(C(=O)NCCC(C)C)NC(=O)C1OC1C(=O)O)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC/C=C\C/C=C\C/C=C\C/C=C\C=C/C(CCCC(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
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:
CC/C=C\C/C=C\C/C=C\C/C=C\C=C/C(CCCC(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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