AH58739
858840-42-3 | 2,5-Dimethyl 3-nitrothiophene-2,5-dicarboxylate
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AH58742
ChemicalName: 6-Ethoxy-5-(trifluoromethyl)-3-pyridinyl boronic acid
CasNumber: 849934-85-6
MolecularFormula: C8H9BF3NO3
MolecularWeight: 234.9682
MdlNumber: MFCD13195241
Smiles: CCOc1ncc(cc1C(F)(F)F)B(O)O
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AH58742
ChemicalName:
6-Ethoxy-5-(trifluoromethyl)-3-pyridinyl boronic acid
CasNumber:
849934-85-6
MolecularFormula:
C8H9BF3NO3
MolecularWeight:
234.9682
MdlNumber:
MFCD13195241
Smiles:
CCOc1ncc(cc1C(F)(F)F)B(O)O
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
Xlogp3:
__