AA28552
1245563-09-0 | Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AA28552
ChemicalName
Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate
CasNumber
1245563-09-0
MolecularFormula
C10H9BrN2O6
MolecularWeight
333.0923
MdlNumber
MFCD17015848
Smiles
COC(=O)C(c1ncc(cc1[N+](=O)[O-])Br)C(=O)OC
Complexity
356
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
5
Xlogp3
1.3
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CatalogNumber: AA28552
ChemicalName: Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate
CasNumber: 1245563-09-0
MolecularFormula: C10H9BrN2O6
MolecularWeight: 333.0923
MdlNumber: MFCD17015848
Smiles: COC(=O)C(c1ncc(cc1[N+](=O)[O-])Br)C(=O)OC
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AA28552
ChemicalName:
Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate
CasNumber:
1245563-09-0
MolecularFormula:
C10H9BrN2O6
MolecularWeight:
333.0923
MdlNumber:
MFCD17015848
Smiles:
COC(=O)C(c1ncc(cc1[N+](=O)[O-])Br)C(=O)OC
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(CNc1ncc(cn1)Br)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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(CNc1ncc(cn1)Br)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(Nc1ccc(cc1C)Br)OCc1ccccc1
Complexity: 292
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
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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:
O=C(Nc1ccc(cc1C)Br)OCc1ccccc1
Complexity:
292
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
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Smiles: CCCCOc1c(Br)cc(cc1Br)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
CCCCOc1c(Br)cc(cc1Br)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__