AG74480
58605-12-2 | Methyl 2,4-dinitrophenylacetate
Manufacturer: A2B Chem
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CatalogNumber
AG74480
ChemicalName
Methyl 2,4-dinitrophenylacetate
CasNumber
58605-12-2
MolecularFormula
C9H8N2O6
MolecularWeight
240.16962000000007
MdlNumber
MFCD00047704
Smiles
COC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NscNumber
143979
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AG74480
ChemicalName: Methyl 2,4-dinitrophenylacetate
CasNumber: 58605-12-2
MolecularFormula: C9H8N2O6
MolecularWeight: 240.16962000000007
MdlNumber: MFCD00047704
Smiles: COC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NscNumber: 143979
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AG74480
ChemicalName:
Methyl 2,4-dinitrophenylacetate
CasNumber:
58605-12-2
MolecularFormula:
C9H8N2O6
MolecularWeight:
240.16962000000007
MdlNumber:
MFCD00047704
Smiles:
COC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NscNumber:
143979
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: __
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Smiles: CC([C@H](N1C(=O)c2c(C1=O)c(F)c(c(c2F)F)F)C1=[O][Rh+2]234[Rh+2]([O-]1)([O-]C(=[O]4)[C@H](C(C)(C)C)N1C(=O)c4c(C1=O)c(F)c(c(c4F)F)F)([O]=C([O-]3)[C@H](C(C)(C)C)N1C(=O)c3c(C1=O)c(F)c(c(c3F)F)F)[O]=C([O-]2)[C@H](C(C)(C)C)N1C(=O)c2c(C1=O)c(F)c(c(c2F)F)F)(C)C
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Smiles:
CC([C@H](N1C(=O)c2c(C1=O)c(F)c(c(c2F)F)F)C1=[O][Rh+2]234[Rh+2]([O-]1)([O-]C(=[O]4)[C@H](C(C)(C)C)N1C(=O)c4c(C1=O)c(F)c(c(c4F)F)F)([O]=C([O-]3)[C@H](C(C)(C)C)N1C(=O)c3c(C1=O)c(F)c(c(c3F)F)F)[O]=C([O-]2)[C@H](C(C)(C)C)N1C(=O)c2c(C1=O)c(F)c(c(c2F)F)F)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: c1ccc(cc1)n1c2ccc(cc2c2c1cccc2)c1ccc2c(c1)c1ccccc1n2c1ccccc1
NscNumber: __
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__
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Smiles:
c1ccc(cc1)n1c2ccc(cc2c2c1cccc2)c1ccc2c(c1)c1ccccc1n2c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: COC(=O)C(C(=O)OC)(CC#C)CC#C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)C(C(=O)OC)(CC#C)CC#C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__