AE14671
1187055-94-2 | 5-Methyl-2-cyclohexene-1-one-3-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AE14671
ChemicalName
5-Methyl-2-cyclohexene-1-one-3-boronic acid pinacol ester
CasNumber
1187055-94-2
MolecularFormula
C13H21BO3
MolecularWeight
236.115
MdlNumber
MFCD22494826
Smiles
CC1CC(=O)C=C(C1)B1OC(C(O1)(C)C)(C)C
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
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CatalogNumber: AE14671
ChemicalName: 5-Methyl-2-cyclohexene-1-one-3-boronic acid pinacol ester
CasNumber: 1187055-94-2
MolecularFormula: C13H21BO3
MolecularWeight: 236.115
MdlNumber: MFCD22494826
Smiles: CC1CC(=O)C=C(C1)B1OC(C(O1)(C)C)(C)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AE14671
ChemicalName:
5-Methyl-2-cyclohexene-1-one-3-boronic acid pinacol ester
CasNumber:
1187055-94-2
MolecularFormula:
C13H21BO3
MolecularWeight:
236.115
MdlNumber:
MFCD22494826
Smiles:
CC1CC(=O)C=C(C1)B1OC(C(O1)(C)C)(C)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: ClCC[C@@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
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Smiles:
ClCC[C@@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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Smiles: OC(=O)Cc1cc(Cl)ccc1NC(=O)N
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
OC(=O)Cc1cc(Cl)ccc1NC(=O)N
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: OC(=O)c1c([2H])c([2H])c(c(c1[2H])[2H])n1nc(nc1c1ccccc1O)c1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c([2H])c([2H])c(c(c1[2H])[2H])n1nc(nc1c1ccccc1O)c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__