AG65594
58656-99-8 | tert-Butyl 3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG65594
ChemicalName
tert-Butyl 3-nitrobenzoate
CasNumber
58656-99-8
MolecularFormula
C11H13NO4
MolecularWeight
223.22521999999995
MdlNumber
MFCD02091504
Smiles
O=C(c1cccc(c1)[N+](=O)[O-])OC(C)(C)C
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AG65594
ChemicalName: tert-Butyl 3-nitrobenzoate
CasNumber: 58656-99-8
MolecularFormula: C11H13NO4
MolecularWeight: 223.22521999999995
MdlNumber: MFCD02091504
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])OC(C)(C)C
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AG65594
ChemicalName:
tert-Butyl 3-nitrobenzoate
CasNumber:
58656-99-8
MolecularFormula:
C11H13NO4
MolecularWeight:
223.22521999999995
MdlNumber:
MFCD02091504
Smiles:
O=C(c1cccc(c1)[N+](=O)[O-])OC(C)(C)C
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: AG65595
ChemicalName: (1-Methylnaphthalen-4-yl)methanol
CasNumber: 57322-44-8
MolecularFormula: C12H12O
MolecularWeight: 172.2231
MdlNumber: MFCD00155252
Smiles: OCc1ccc(c2c1cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG65595
ChemicalName:
(1-Methylnaphthalen-4-yl)methanol
CasNumber:
57322-44-8
MolecularFormula:
C12H12O
MolecularWeight:
172.2231
MdlNumber:
MFCD00155252
Smiles:
OCc1ccc(c2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG65596
ChemicalName: 1-Cbz-azetidine-3-yl methanol
CasNumber: 618446-42-7
MolecularFormula: C12H15NO3
MolecularWeight: 221.2524
MdlNumber: MFCD09037850
Smiles: OCC1CN(C1)C(=O)OCc1ccccc1
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AG65596
ChemicalName:
1-Cbz-azetidine-3-yl methanol
CasNumber:
618446-42-7
MolecularFormula:
C12H15NO3
MolecularWeight:
221.2524
MdlNumber:
MFCD09037850
Smiles:
OCC1CN(C1)C(=O)OCc1ccccc1
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1c[nH]c2c1cccc2)N1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1c[nH]c2c1cccc2)N1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__