AB72919
917562-22-2 | Dimethyl 2-(4-(methylsulfonyl)-2-nitrophenyl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AB72919
ChemicalName
Dimethyl 2-(4-(methylsulfonyl)-2-nitrophenyl)malonate
CasNumber
917562-22-2
MolecularFormula
C12H13NO8S
MolecularWeight
331.2985
MdlNumber
MFCD09027268
Smiles
COC(=O)C(c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C)C(=O)OC
Complexity
531
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
8
RotatableBondCount
6
Xlogp3
0.9
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CatalogNumber: AB72919
ChemicalName: Dimethyl 2-(4-(methylsulfonyl)-2-nitrophenyl)malonate
CasNumber: 917562-22-2
MolecularFormula: C12H13NO8S
MolecularWeight: 331.2985
MdlNumber: MFCD09027268
Smiles: COC(=O)C(c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C)C(=O)OC
Complexity: 531
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 8
RotatableBondCount: 6
Xlogp3: 0.9
CatalogNumber:
AB72919
ChemicalName:
Dimethyl 2-(4-(methylsulfonyl)-2-nitrophenyl)malonate
CasNumber:
917562-22-2
MolecularFormula:
C12H13NO8S
MolecularWeight:
331.2985
MdlNumber:
MFCD09027268
Smiles:
COC(=O)C(c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C)C(=O)OC
Complexity:
531
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
8
RotatableBondCount:
6
Xlogp3:
0.9
CatalogNumber: AB72920
ChemicalName: Dimethyl 2-(4-cyano-2-nitrophenyl)malonate
CasNumber: 651747-69-2
MolecularFormula: C12H10N2O6
MolecularWeight: 278.2176
MdlNumber: MFCD07363809
Smiles: COC(=O)C(c1ccc(cc1[N+](=O)[O-])C#N)C(=O)OC
Complexity: 433
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AB72920
ChemicalName:
Dimethyl 2-(4-cyano-2-nitrophenyl)malonate
CasNumber:
651747-69-2
MolecularFormula:
C12H10N2O6
MolecularWeight:
278.2176
MdlNumber:
MFCD07363809
Smiles:
COC(=O)C(c1ccc(cc1[N+](=O)[O-])C#N)C(=O)OC
Complexity:
433
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1.4
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Smiles: COC(=O)C(C(=O)OC)Cc1ccc(cc1)F
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Smiles:
COC(=O)C(C(=O)OC)Cc1ccc(cc1)F
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: COC(=O)C(C(=O)OC)Cc1ccc(cc1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)C(C(=O)OC)Cc1ccc(cc1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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