AA15611
1163287-01-1 | Methyl 4-fluoro-2-methyl-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA15611
ChemicalName
Methyl 4-fluoro-2-methyl-5-nitrobenzoate
CasNumber
1163287-01-1
MolecularFormula
C9H8FNO4
MolecularWeight
213.1625
MdlNumber
MFCD14581697
Smiles
COC(=O)c1cc([N+](=O)[O-])c(cc1C)F
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AA15611
ChemicalName: Methyl 4-fluoro-2-methyl-5-nitrobenzoate
CasNumber: 1163287-01-1
MolecularFormula: C9H8FNO4
MolecularWeight: 213.1625
MdlNumber: MFCD14581697
Smiles: COC(=O)c1cc([N+](=O)[O-])c(cc1C)F
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AA15611
ChemicalName:
Methyl 4-fluoro-2-methyl-5-nitrobenzoate
CasNumber:
1163287-01-1
MolecularFormula:
C9H8FNO4
MolecularWeight:
213.1625
MdlNumber:
MFCD14581697
Smiles:
COC(=O)c1cc([N+](=O)[O-])c(cc1C)F
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.1
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MolecularFormula: __
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Smiles: CCN[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCN[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cc1ccc(cc1N)C(C(F)(F)F)(C(F)(F)F)c1ccc(c(c1)N)C
Complexity: __
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Smiles:
Cc1ccc(cc1N)C(C(F)(F)F)(C(F)(F)F)c1ccc(c(c1)N)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cc1c2ccccc2n(c1C)S(=O)(=O)c1ccccc1
Complexity: __
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HeavyAtomCount: __
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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:
Cc1c2ccccc2n(c1C)S(=O)(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__