AA65596
147290-67-3 | tert-Butyl 3-methyl-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA65596
ChemicalName
tert-Butyl 3-methyl-4-nitrobenzoate
CasNumber
147290-67-3
MolecularFormula
C12H15NO4
MolecularWeight
237.2518
MdlNumber
MFCD08703418
Smiles
O=C(c1ccc(c(c1)C)[N+](=O)[O-])OC(C)(C)C
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AA65596
ChemicalName: tert-Butyl 3-methyl-4-nitrobenzoate
CasNumber: 147290-67-3
MolecularFormula: C12H15NO4
MolecularWeight: 237.2518
MdlNumber: MFCD08703418
Smiles: O=C(c1ccc(c(c1)C)[N+](=O)[O-])OC(C)(C)C
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA65596
ChemicalName:
tert-Butyl 3-methyl-4-nitrobenzoate
CasNumber:
147290-67-3
MolecularFormula:
C12H15NO4
MolecularWeight:
237.2518
MdlNumber:
MFCD08703418
Smiles:
O=C(c1ccc(c(c1)C)[N+](=O)[O-])OC(C)(C)C
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA65598
ChemicalName: Fmoc-Orn(Alloc)-OH
CasNumber: 147290-11-7
MolecularFormula: C24H26N2O6
MolecularWeight: 438.473
MdlNumber: MFCD00798637
Smiles: C=CCOC(=O)NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 647
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 6
RotatableBondCount: 12
Xlogp3: 3.8
CatalogNumber:
AA65598
ChemicalName:
Fmoc-Orn(Alloc)-OH
CasNumber:
147290-11-7
MolecularFormula:
C24H26N2O6
MolecularWeight:
438.473
MdlNumber:
MFCD00798637
Smiles:
C=CCOC(=O)NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
647
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
6
RotatableBondCount:
12
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](C(=O)O)CCCNC(=O)OCC=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](C(=O)O)CCCNC(=O)OCC=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__