AE64879
1257535-04-8 | Phenyl 2-fluoro-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE64879
ChemicalName
Phenyl 2-fluoro-5-nitrobenzoate
CasNumber
1257535-04-8
MolecularFormula
C13H8FNO4
MolecularWeight
261.2053
MdlNumber
MFCD16170460
Smiles
Fc1ccc(cc1C(=O)Oc1ccccc1)[N+](=O)[O-]
Complexity
338
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AE64879
ChemicalName: Phenyl 2-fluoro-5-nitrobenzoate
CasNumber: 1257535-04-8
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD16170460
Smiles: Fc1ccc(cc1C(=O)Oc1ccccc1)[N+](=O)[O-]
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AE64879
ChemicalName:
Phenyl 2-fluoro-5-nitrobenzoate
CasNumber:
1257535-04-8
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD16170460
Smiles:
Fc1ccc(cc1C(=O)Oc1ccccc1)[N+](=O)[O-]
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
3.6
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Smiles: BrCCC[B-](F)(F)F.[K+]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
BrCCC[B-](F)(F)F.[K+]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: O=C(OC(C)(C)C)NCCCCN=C(NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(O2)(C)C)N
Complexity: __
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Smiles:
O=C(OC(C)(C)C)NCCCCN=C(NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(O2)(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: O=C(N1CCC2(CC1)CC(C2)NCc1ccccc1)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N1CCC2(CC1)CC(C2)NCc1ccccc1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__