AI41014
1820735-08-7 | 1,3-Dimethyl 2-(2-cyano-4-nitrophenyl)propanedioate
Manufacturer: A2B Chem
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CatalogNumber
AI41014
ChemicalName
1,3-Dimethyl 2-(2-cyano-4-nitrophenyl)propanedioate
CasNumber
1820735-08-7
MolecularFormula
C12H10N2O6
MolecularWeight
278.2176
MdlNumber
MFCD28122703
Smiles
COC(=O)C(c1ccc(cc1C#N)[N+](=O)[O-])C(=O)OC
Complexity
433
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
RotatableBondCount
5
Xlogp3
1.4
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CatalogNumber: AI41014
ChemicalName: 1,3-Dimethyl 2-(2-cyano-4-nitrophenyl)propanedioate
CasNumber: 1820735-08-7
MolecularFormula: C12H10N2O6
MolecularWeight: 278.2176
MdlNumber: MFCD28122703
Smiles: COC(=O)C(c1ccc(cc1C#N)[N+](=O)[O-])C(=O)OC
Complexity: 433
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AI41014
ChemicalName:
1,3-Dimethyl 2-(2-cyano-4-nitrophenyl)propanedioate
CasNumber:
1820735-08-7
MolecularFormula:
C12H10N2O6
MolecularWeight:
278.2176
MdlNumber:
MFCD28122703
Smiles:
COC(=O)C(c1ccc(cc1C#N)[N+](=O)[O-])C(=O)OC
Complexity:
433
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1)N1CCN(CC1)C(=O)OC(C)(C)C)I
Complexity: 367
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1)N1CCN(CC1)C(=O)OC(C)(C)C)I
Complexity:
367
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__