AI62923
942271-60-5 | 4-Fluoro-2-nitro-benzoic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI62923
ChemicalName
4-Fluoro-2-nitro-benzoic acid tert-butyl ester
CasNumber
942271-60-5
MolecularFormula
C11H12FNO4
MolecularWeight
241.2156832
MdlNumber
MFCD26384452
Smiles
Fc1ccc(c(c1)[N+](=O)[O-])C(=O)OC(C)(C)C
Complexity
308
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AI62923
ChemicalName: 4-Fluoro-2-nitro-benzoic acid tert-butyl ester
CasNumber: 942271-60-5
MolecularFormula: C11H12FNO4
MolecularWeight: 241.2156832
MdlNumber: MFCD26384452
Smiles: Fc1ccc(c(c1)[N+](=O)[O-])C(=O)OC(C)(C)C
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AI62923
ChemicalName:
4-Fluoro-2-nitro-benzoic acid tert-butyl ester
CasNumber:
942271-60-5
MolecularFormula:
C11H12FNO4
MolecularWeight:
241.2156832
MdlNumber:
MFCD26384452
Smiles:
Fc1ccc(c(c1)[N+](=O)[O-])C(=O)OC(C)(C)C
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.9
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MolecularFormula: __
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Smiles: CCCC1=NC2=C(N1C3=CC4=C(C=C3)OCCO4)C=CC(=C2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCCC1=NC2=C(N1C3=CC4=C(C=C3)OCCO4)C=CC(=C2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: CO[C@@H]1CNC[C@H]1OC.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CO[C@@H]1CNC[C@H]1OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: NCCC[C@@H](C(=O)OCC)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCC[C@@H](C(=O)OCC)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__