AI59160
883987-72-2 | methyl 3-fluoro-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI59160
ChemicalName
methyl 3-fluoro-5-nitrobenzoate
CasNumber
883987-72-2
MolecularFormula
C8H6FNO4
MolecularWeight
199.1359
MdlNumber
MFCD12172991
Smiles
COC(=O)c1cc(F)cc(c1)[N+](=O)[O-]
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AI59160
ChemicalName: methyl 3-fluoro-5-nitrobenzoate
CasNumber: 883987-72-2
MolecularFormula: C8H6FNO4
MolecularWeight: 199.1359
MdlNumber: MFCD12172991
Smiles: COC(=O)c1cc(F)cc(c1)[N+](=O)[O-]
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI59160
ChemicalName:
methyl 3-fluoro-5-nitrobenzoate
CasNumber:
883987-72-2
MolecularFormula:
C8H6FNO4
MolecularWeight:
199.1359
MdlNumber:
MFCD12172991
Smiles:
COC(=O)c1cc(F)cc(c1)[N+](=O)[O-]
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)c1sc(c(c1CBr)C#N)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
CCOC(=O)c1sc(c(c1CBr)C#N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: ClC(P(=O)(O)O)(P(=O)([O-])[O-])Cl.[Na+].[Na+].O.O.O.O
Complexity: __
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Smiles:
ClC(P(=O)(O)O)(P(=O)([O-])[O-])Cl.[Na+].[Na+].O.O.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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Smiles: C[C@@]12[C@H]3O[C@@]3(C(=C)C)C(=O)C=C2CC[C@H]([C@@H]1C)O
Complexity: __
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HeavyAtomCount: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@]12[C@H]3O[C@@]3(C(=C)C)C(=O)C=C2CC[C@H]([C@@H]1C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__