AB48042
856165-82-7 | 4-Chloro-3-isopropoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48042
ChemicalName
4-Chloro-3-isopropoxybenzoic acid
CasNumber
856165-82-7
MolecularFormula
C10H11ClO3
MolecularWeight
214.6455
MdlNumber
MFCD18311853
Smiles
CC(Oc1cc(ccc1Cl)C(=O)O)C
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AB48042
ChemicalName: 4-Chloro-3-isopropoxybenzoic acid
CasNumber: 856165-82-7
MolecularFormula: C10H11ClO3
MolecularWeight: 214.6455
MdlNumber: MFCD18311853
Smiles: CC(Oc1cc(ccc1Cl)C(=O)O)C
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AB48042
ChemicalName:
4-Chloro-3-isopropoxybenzoic acid
CasNumber:
856165-82-7
MolecularFormula:
C10H11ClO3
MolecularWeight:
214.6455
MdlNumber:
MFCD18311853
Smiles:
CC(Oc1cc(ccc1Cl)C(=O)O)C
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccccc1NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccccc1NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48044
ChemicalName: 4-Bromo-3-methyl-2-nitrophenol
CasNumber: 85598-12-5
MolecularFormula: C7H6BrNO3
MolecularWeight: 232.0314
MdlNumber: MFCD17016113
Smiles: [O-][N+](=O)c1c(O)ccc(c1C)Br
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
AB48044
ChemicalName:
4-Bromo-3-methyl-2-nitrophenol
CasNumber:
85598-12-5
MolecularFormula:
C7H6BrNO3
MolecularWeight:
232.0314
MdlNumber:
MFCD17016113
Smiles:
[O-][N+](=O)c1c(O)ccc(c1C)Br
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: AB48045
ChemicalName: Magnesium 3-((4-nitrobenzyl)oxy)-3-oxopropanoate
CasNumber: 83972-01-4
MolecularFormula: C20H16MgN2O12
MolecularWeight: 500.6522
MdlNumber: MFCD00060141
Smiles: [O-]C(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-].[O-]C(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-].[Mg+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB48045
ChemicalName:
Magnesium 3-((4-nitrobenzyl)oxy)-3-oxopropanoate
CasNumber:
83972-01-4
MolecularFormula:
C20H16MgN2O12
MolecularWeight:
500.6522
MdlNumber:
MFCD00060141
Smiles:
[O-]C(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-].[O-]C(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-].[Mg+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__