AI46737
29704-38-9 | tert-Butyl 2-(4-nitrophenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI46737
ChemicalName
tert-Butyl 2-(4-nitrophenyl)acetate
CasNumber
29704-38-9
MolecularFormula
C12H15NO4
MolecularWeight
237.2518
MdlNumber
MFCD24943244
Smiles
O=C(Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
NscNumber
408625
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.7
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CatalogNumber: AI46737
ChemicalName: tert-Butyl 2-(4-nitrophenyl)acetate
CasNumber: 29704-38-9
MolecularFormula: C12H15NO4
MolecularWeight: 237.2518
MdlNumber: MFCD24943244
Smiles: O=C(Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
NscNumber: 408625
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AI46737
ChemicalName:
tert-Butyl 2-(4-nitrophenyl)acetate
CasNumber:
29704-38-9
MolecularFormula:
C12H15NO4
MolecularWeight:
237.2518
MdlNumber:
MFCD24943244
Smiles:
O=C(Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
NscNumber:
408625
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.7
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Smiles: OC(=O)CCC1C(=O)Nc2c1cccc2
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Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
OC(=O)CCC1C(=O)Nc2c1cccc2
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Smiles: CC(n1cncn1)C(=O)N
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CC(n1cncn1)C(=O)N
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1CC(CC(=O)C1=CNCCN1CCNCC1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC(CC(=O)C1=CNCCN1CCNCC1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__