AB75558
5409-45-0 | Methyl 2-(acetylamino)-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75558
ChemicalName
Methyl 2-(acetylamino)-5-nitrobenzoate
CasNumber
5409-45-0
MolecularFormula
C10H10N2O5
MolecularWeight
238.1968
MdlNumber
MFCD00157624
Smiles
COC(=O)c1cc(ccc1NC(=O)C)[N+](=O)[O-]
NscNumber
12468
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AB75558
ChemicalName: Methyl 2-(acetylamino)-5-nitrobenzoate
CasNumber: 5409-45-0
MolecularFormula: C10H10N2O5
MolecularWeight: 238.1968
MdlNumber: MFCD00157624
Smiles: COC(=O)c1cc(ccc1NC(=O)C)[N+](=O)[O-]
NscNumber: 12468
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB75558
ChemicalName:
Methyl 2-(acetylamino)-5-nitrobenzoate
CasNumber:
5409-45-0
MolecularFormula:
C10H10N2O5
MolecularWeight:
238.1968
MdlNumber:
MFCD00157624
Smiles:
COC(=O)c1cc(ccc1NC(=O)C)[N+](=O)[O-]
NscNumber:
12468
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccccc1NC(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccccc1NC(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75560
ChemicalName: 3-Acetoxy-4-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber: 1073355-18-6
MolecularFormula: C16H21BO6
MolecularWeight: 320.1453
MdlNumber: MFCD09864187
Smiles: COC(=O)c1ccc(cc1OC(=O)C)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 459
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AB75560
ChemicalName:
3-Acetoxy-4-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber:
1073355-18-6
MolecularFormula:
C16H21BO6
MolecularWeight:
320.1453
MdlNumber:
MFCD09864187
Smiles:
COC(=O)c1ccc(cc1OC(=O)C)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
459
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCCC(C(=O)OC)OC(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCC(C(=O)OC)OC(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__