AB44697
928664-98-6 | 4-Isoxazoleboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB44697
ChemicalName
4-Isoxazoleboronic acid pinacol ester
CasNumber
928664-98-6
MolecularFormula
C9H14BNO3
MolecularWeight
195.0234
MdlNumber
MFCD06657891
Smiles
CC1(C)OB(OC1(C)C)c1conc1
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
1
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CatalogNumber: AB44697
ChemicalName: 4-Isoxazoleboronic acid pinacol ester
CasNumber: 928664-98-6
MolecularFormula: C9H14BNO3
MolecularWeight: 195.0234
MdlNumber: MFCD06657891
Smiles: CC1(C)OB(OC1(C)C)c1conc1
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AB44697
ChemicalName:
4-Isoxazoleboronic acid pinacol ester
CasNumber:
928664-98-6
MolecularFormula:
C9H14BNO3
MolecularWeight:
195.0234
MdlNumber:
MFCD06657891
Smiles:
CC1(C)OB(OC1(C)C)c1conc1
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)N1CCOCC1=O
Complexity: 212
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)N1CCOCC1=O
Complexity:
212
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AB44699
ChemicalName: 4-(4-Formylphenoxy)benzonitrile
CasNumber: 90178-71-5
MolecularFormula: C14H9NO2
MolecularWeight: 223.2268
MdlNumber: MFCD08276813
Smiles: O=Cc1ccc(cc1)Oc1ccc(cc1)C#N
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB44699
ChemicalName:
4-(4-Formylphenoxy)benzonitrile
CasNumber:
90178-71-5
MolecularFormula:
C14H9NO2
MolecularWeight:
223.2268
MdlNumber:
MFCD08276813
Smiles:
O=Cc1ccc(cc1)Oc1ccc(cc1)C#N
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCNCCCCO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCNCCCCO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__