AE24933
108620-55-9 | Ethyl 4-(3-nitrophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE24933
ChemicalName
Ethyl 4-(3-nitrophenyl)benzoate
CasNumber
108620-55-9
MolecularFormula
C15H13NO4
MolecularWeight
271.268
MdlNumber
MFCD21332969
Smiles
CCOC(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
4.1
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CatalogNumber: AE24933
ChemicalName: Ethyl 4-(3-nitrophenyl)benzoate
CasNumber: 108620-55-9
MolecularFormula: C15H13NO4
MolecularWeight: 271.268
MdlNumber: MFCD21332969
Smiles: CCOC(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 4.1
CatalogNumber:
AE24933
ChemicalName:
Ethyl 4-(3-nitrophenyl)benzoate
CasNumber:
108620-55-9
MolecularFormula:
C15H13NO4
MolecularWeight:
271.268
MdlNumber:
MFCD21332969
Smiles:
CCOC(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
4.1
CatalogNumber: AE24934
ChemicalName: 2-(3-methoxypropoxy)phenylboronic acid
CasNumber: 1122568-12-0
MolecularFormula: C10H15BO4
MolecularWeight: 210.0347
MdlNumber: MFCD12768318
Smiles: COCCCOc1ccccc1B(O)O
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AE24934
ChemicalName:
2-(3-methoxypropoxy)phenylboronic acid
CasNumber:
1122568-12-0
MolecularFormula:
C10H15BO4
MolecularWeight:
210.0347
MdlNumber:
MFCD12768318
Smiles:
COCCCOc1ccccc1B(O)O
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cccc(c1F)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cccc(c1F)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE24936
ChemicalName: 2-Fluoro-4-(4-fluoro-2-methylphenyl)benzoic acid
CasNumber: 1178942-44-3
MolecularFormula: C14H10F2O2
MolecularWeight: 248.2248
MdlNumber: MFCD12859243
Smiles: Fc1ccc(c(c1)C)c1ccc(c(c1)F)C(=O)O
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AE24936
ChemicalName:
2-Fluoro-4-(4-fluoro-2-methylphenyl)benzoic acid
CasNumber:
1178942-44-3
MolecularFormula:
C14H10F2O2
MolecularWeight:
248.2248
MdlNumber:
MFCD12859243
Smiles:
Fc1ccc(c(c1)C)c1ccc(c(c1)F)C(=O)O
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.6