AH58738
80074-90-4 | Ethyl 2-ethoxy-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AH58738
ChemicalName
Ethyl 2-ethoxy-5-nitrobenzoate
CasNumber
80074-90-4
MolecularFormula
C11H13NO5
MolecularWeight
239.2246
MdlNumber
MFCD04213558
Smiles
CCOC(=O)c1cc(ccc1OCC)[N+](=O)[O-]
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
2.3
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CatalogNumber: AH58738
ChemicalName: Ethyl 2-ethoxy-5-nitrobenzoate
CasNumber: 80074-90-4
MolecularFormula: C11H13NO5
MolecularWeight: 239.2246
MdlNumber: MFCD04213558
Smiles: CCOC(=O)c1cc(ccc1OCC)[N+](=O)[O-]
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2.3
CatalogNumber:
AH58738
ChemicalName:
Ethyl 2-ethoxy-5-nitrobenzoate
CasNumber:
80074-90-4
MolecularFormula:
C11H13NO5
MolecularWeight:
239.2246
MdlNumber:
MFCD04213558
Smiles:
CCOC(=O)c1cc(ccc1OCC)[N+](=O)[O-]
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2.3
CatalogNumber: AH58739
ChemicalName: 2,5-Dimethyl 3-nitrothiophene-2,5-dicarboxylate
CasNumber: 858840-42-3
MolecularFormula: C8H7NO6S
MolecularWeight: 245.2093
MdlNumber: MFCD22381980
Smiles: COC(=O)c1cc(c(s1)C(=O)OC)[N+](=O)[O-]
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AH58739
ChemicalName:
2,5-Dimethyl 3-nitrothiophene-2,5-dicarboxylate
CasNumber:
858840-42-3
MolecularFormula:
C8H7NO6S
MolecularWeight:
245.2093
MdlNumber:
MFCD22381980
Smiles:
COC(=O)c1cc(c(s1)C(=O)OC)[N+](=O)[O-]
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: AH58740
ChemicalName: 2-(2-Carboxyethyl)phenylboronic acid, pinacol ester
CasNumber: 797756-39-9
MolecularFormula: C15H21BO4
MolecularWeight: 276.13584
MdlNumber: MFCD22414453
Smiles: OC(=O)CCc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AH58740
ChemicalName:
2-(2-Carboxyethyl)phenylboronic acid, pinacol ester
CasNumber:
797756-39-9
MolecularFormula:
C15H21BO4
MolecularWeight:
276.13584
MdlNumber:
MFCD22414453
Smiles:
OC(=O)CCc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AH58741
ChemicalName: 1-(4-Fluorophenyl)-1h-imidazole-5-carboxylic acid
CasNumber: 851721-89-6
MolecularFormula: C10H7FN2O2
MolecularWeight: 206.1732
MdlNumber: MFCD06382835
Smiles: Fc1ccc(cc1)n1cncc1C(=O)O
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AH58741
ChemicalName:
1-(4-Fluorophenyl)-1h-imidazole-5-carboxylic acid
CasNumber:
851721-89-6
MolecularFormula:
C10H7FN2O2
MolecularWeight:
206.1732
MdlNumber:
MFCD06382835
Smiles:
Fc1ccc(cc1)n1cncc1C(=O)O
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.6