AI31682
1351054-91-5 | 2-Formyl-4-nitrophenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI31682
ChemicalName
2-Formyl-4-nitrophenylboronic acid pinacol ester
CasNumber
1351054-91-5
MolecularFormula
C13H16BNO5
MolecularWeight
277.0808
MdlNumber
MFCD22493739
Smiles
O=Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity
390
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
2
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CatalogNumber: AI31682
ChemicalName: 2-Formyl-4-nitrophenylboronic acid pinacol ester
CasNumber: 1351054-91-5
MolecularFormula: C13H16BNO5
MolecularWeight: 277.0808
MdlNumber: MFCD22493739
Smiles: O=Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity: 390
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
CatalogNumber:
AI31682
ChemicalName:
2-Formyl-4-nitrophenylboronic acid pinacol ester
CasNumber:
1351054-91-5
MolecularFormula:
C13H16BNO5
MolecularWeight:
277.0808
MdlNumber:
MFCD22493739
Smiles:
O=Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity:
390
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
CatalogNumber: __
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Smiles: O=C(c1cc2c([nH]1)ncnc2Cl)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
O=C(c1cc2c([nH]1)ncnc2Cl)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)C(c1ccc(cc1)Cl)O
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Smiles:
CCOC(=O)C(c1ccc(cc1)Cl)O
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Oc1ccc2c(c1)C(=O)CC1(O2)CCCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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:
Oc1ccc2c(c1)C(=O)CC1(O2)CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__