AD94240
864293-50-5 | 4-Fluoro-5-methoxy-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD94240
ChemicalName
4-Fluoro-5-methoxy-2-nitrobenzoic acid
CasNumber
864293-50-5
MolecularFormula
C8H6FNO5
MolecularWeight
215.1353432
MdlNumber
MFCD16159124
Smiles
COc1cc(C(=O)O)c(cc1F)[N+](=O)[O-]
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AD94240
ChemicalName: 4-Fluoro-5-methoxy-2-nitrobenzoic acid
CasNumber: 864293-50-5
MolecularFormula: C8H6FNO5
MolecularWeight: 215.1353432
MdlNumber: MFCD16159124
Smiles: COc1cc(C(=O)O)c(cc1F)[N+](=O)[O-]
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AD94240
ChemicalName:
4-Fluoro-5-methoxy-2-nitrobenzoic acid
CasNumber:
864293-50-5
MolecularFormula:
C8H6FNO5
MolecularWeight:
215.1353432
MdlNumber:
MFCD16159124
Smiles:
COc1cc(C(=O)O)c(cc1F)[N+](=O)[O-]
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc2c(c1)n(C)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
NCc1ccc2c(c1)n(C)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: FC(C(C(C(C(C(C(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
FC(C(C(C(C(C(C(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: CCOC(=O)[C@@H]1CC[C@@H](CC1)Nc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)[C@@H]1CC[C@@H](CC1)Nc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__