AF88011
32418-08-9 | 3-Isopropyl-6-nitro-1,3-benzoxazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AF88011
ChemicalName
3-Isopropyl-6-nitro-1,3-benzoxazol-2-one
CasNumber
32418-08-9
MolecularFormula
C10H10N2O4
MolecularWeight
222.1974
MdlNumber
MFCD22421525
Smiles
[O-][N+](=O)c1ccc2c(c1)oc(=O)n2C(C)C
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AF88011
ChemicalName: 3-Isopropyl-6-nitro-1,3-benzoxazol-2-one
CasNumber: 32418-08-9
MolecularFormula: C10H10N2O4
MolecularWeight: 222.1974
MdlNumber: MFCD22421525
Smiles: [O-][N+](=O)c1ccc2c(c1)oc(=O)n2C(C)C
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AF88011
ChemicalName:
3-Isopropyl-6-nitro-1,3-benzoxazol-2-one
CasNumber:
32418-08-9
MolecularFormula:
C10H10N2O4
MolecularWeight:
222.1974
MdlNumber:
MFCD22421525
Smiles:
[O-][N+](=O)c1ccc2c(c1)oc(=O)n2C(C)C
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: AF88012
ChemicalName: 1-(3-Methoxy-4-nitrophenyl)piperidine
CasNumber: 352651-56-0
MolecularFormula: C12H16N2O3
MolecularWeight: 236.267
MdlNumber: MFCD01471565
Smiles: COc1cc(ccc1[N+](=O)[O-])N1CCCCC1
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AF88012
ChemicalName:
1-(3-Methoxy-4-nitrophenyl)piperidine
CasNumber:
352651-56-0
MolecularFormula:
C12H16N2O3
MolecularWeight:
236.267
MdlNumber:
MFCD01471565
Smiles:
COc1cc(ccc1[N+](=O)[O-])N1CCCCC1
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C
Complexity: 263
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C
Complexity:
263
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: AF88016
ChemicalName: 7-Methyl-2,4-dihydro-1,4-benzoxazin-3-one
CasNumber: 39522-25-3
MolecularFormula: C9H9NO2
MolecularWeight: 163.1733
MdlNumber: MFCD03019817
Smiles: O=C1COc2c(N1)ccc(c2)C
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
AF88016
ChemicalName:
7-Methyl-2,4-dihydro-1,4-benzoxazin-3-one
CasNumber:
39522-25-3
MolecularFormula:
C9H9NO2
MolecularWeight:
163.1733
MdlNumber:
MFCD03019817
Smiles:
O=C1COc2c(N1)ccc(c2)C
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.2