AB03377
201933-03-1 | Methyl 3-(acetoxymethyl)-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB03377
ChemicalName
Methyl 3-(acetoxymethyl)-4-nitrobenzoate
CasNumber
201933-03-1
MolecularFormula
C11H11NO6
MolecularWeight
253.2081
MdlNumber
MFCD30489201
Smiles
COC(=O)c1ccc(c(c1)COC(=O)C)[N+](=O)[O-]
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
RotatableBondCount
5
Xlogp3
1.3
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CatalogNumber: AB03377
ChemicalName: Methyl 3-(acetoxymethyl)-4-nitrobenzoate
CasNumber: 201933-03-1
MolecularFormula: C11H11NO6
MolecularWeight: 253.2081
MdlNumber: MFCD30489201
Smiles: COC(=O)c1ccc(c(c1)COC(=O)C)[N+](=O)[O-]
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AB03377
ChemicalName:
Methyl 3-(acetoxymethyl)-4-nitrobenzoate
CasNumber:
201933-03-1
MolecularFormula:
C11H11NO6
MolecularWeight:
253.2081
MdlNumber:
MFCD30489201
Smiles:
COC(=O)c1ccc(c(c1)COC(=O)C)[N+](=O)[O-]
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)CO)[N+](=O)[O-]
Complexity: 249
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)CO)[N+](=O)[O-]
Complexity:
249
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)Nc1cc(OC)c2c(c1)cccc2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCC(=O)Nc1cc(OC)c2c(c1)cccc2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCCCCCCCCCCC(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCCCCCCCCCCC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__