AC22355
872141-24-7 | Dimethyl 2-(3-fluoro-2-nitrophenyl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AC22355
ChemicalName
Dimethyl 2-(3-fluoro-2-nitrophenyl)malonate
CasNumber
872141-24-7
MolecularFormula
C11H10FNO6
MolecularWeight
271.1986
MdlNumber
MFCD20441782
Smiles
COC(=O)C(c1cccc(c1[N+](=O)[O-])F)C(=O)OC
Complexity
353
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
5
Xlogp3
1.8
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CatalogNumber: AC22355
ChemicalName: Dimethyl 2-(3-fluoro-2-nitrophenyl)malonate
CasNumber: 872141-24-7
MolecularFormula: C11H10FNO6
MolecularWeight: 271.1986
MdlNumber: MFCD20441782
Smiles: COC(=O)C(c1cccc(c1[N+](=O)[O-])F)C(=O)OC
Complexity: 353
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1.8
CatalogNumber:
AC22355
ChemicalName:
Dimethyl 2-(3-fluoro-2-nitrophenyl)malonate
CasNumber:
872141-24-7
MolecularFormula:
C11H10FNO6
MolecularWeight:
271.1986
MdlNumber:
MFCD20441782
Smiles:
COC(=O)C(c1cccc(c1[N+](=O)[O-])F)C(=O)OC
Complexity:
353
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1.8
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Smiles: CCOC(=O)c1ccc(c(n1)Cl)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CCOC(=O)c1ccc(c(n1)Cl)C(F)(F)F
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Smiles: O=Cc1cc(c(cc1c1ccc(cc1)C)C=O)c1ccc(cc1)C
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Smiles:
O=Cc1cc(c(cc1c1ccc(cc1)C)C=O)c1ccc(cc1)C
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Smiles: COc1cc2c(cc1OC)CCN1[C@@H]2C[C@@H](O)[C@@H](C1)CC(C)C
Complexity: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2c(cc1OC)CCN1[C@@H]2C[C@@H](O)[C@@H](C1)CC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__