AB45016
145370-39-4 | 2-(3-Methoxy-4-nitrophenyl)-4h-chromen-4-one
Manufacturer: A2B Chem
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CatalogNumber
AB45016
ChemicalName
2-(3-Methoxy-4-nitrophenyl)-4h-chromen-4-one
CasNumber
145370-39-4
MolecularFormula
C16H11NO5
MolecularWeight
297.2622
MdlNumber
MFCD22479198
Smiles
COc1cc(ccc1[N+](=O)[O-])c1cc(=O)c2c(o1)cccc2
Complexity
483
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AB45016
ChemicalName: 2-(3-Methoxy-4-nitrophenyl)-4h-chromen-4-one
CasNumber: 145370-39-4
MolecularFormula: C16H11NO5
MolecularWeight: 297.2622
MdlNumber: MFCD22479198
Smiles: COc1cc(ccc1[N+](=O)[O-])c1cc(=O)c2c(o1)cccc2
Complexity: 483
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AB45016
ChemicalName:
2-(3-Methoxy-4-nitrophenyl)-4h-chromen-4-one
CasNumber:
145370-39-4
MolecularFormula:
C16H11NO5
MolecularWeight:
297.2622
MdlNumber:
MFCD22479198
Smiles:
COc1cc(ccc1[N+](=O)[O-])c1cc(=O)c2c(o1)cccc2
Complexity:
483
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: AB45017
ChemicalName: 4-Hexylphenylboronic acid
CasNumber: 105365-50-2
MolecularFormula: C12H19BO2
MolecularWeight: 206.0891
MdlNumber: MFCD04039029
Smiles: CCCCCCc1ccc(cc1)B(O)O
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AB45017
ChemicalName:
4-Hexylphenylboronic acid
CasNumber:
105365-50-2
MolecularFormula:
C12H19BO2
MolecularWeight:
206.0891
MdlNumber:
MFCD04039029
Smiles:
CCCCCCc1ccc(cc1)B(O)O
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccn(c(=O)c1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccn(c(=O)c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)CCO
Complexity: 49.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)CCO
Complexity:
49.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.8