AF87744
389571-34-0 | Methyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AF87744
ChemicalName
Methyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate
CasNumber
389571-34-0
MolecularFormula
C10H7ClN2O4
MolecularWeight
254.6266
MdlNumber
MFCD22383661
Smiles
[O-][N+](=O)c1ccc(cc1C(C(=O)OC)C#N)Cl
Complexity
359
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AF87744
ChemicalName: Methyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate
CasNumber: 389571-34-0
MolecularFormula: C10H7ClN2O4
MolecularWeight: 254.6266
MdlNumber: MFCD22383661
Smiles: [O-][N+](=O)c1ccc(cc1C(C(=O)OC)C#N)Cl
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AF87744
ChemicalName:
Methyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate
CasNumber:
389571-34-0
MolecularFormula:
C10H7ClN2O4
MolecularWeight:
254.6266
MdlNumber:
MFCD22383661
Smiles:
[O-][N+](=O)c1ccc(cc1C(C(=O)OC)C#N)Cl
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(s1)C(=O)CCl
Complexity: 138
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(s1)C(=O)CCl
Complexity:
138
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: AF87746
ChemicalName: 3-nitro-N-propylbenzamide
CasNumber: 39887-56-4
MolecularFormula: C10H12N2O3
MolecularWeight: 208.2139
MdlNumber: MFCD00779667
Smiles: CCCNC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AF87746
ChemicalName:
3-nitro-N-propylbenzamide
CasNumber:
39887-56-4
MolecularFormula:
C10H12N2O3
MolecularWeight:
208.2139
MdlNumber:
MFCD00779667
Smiles:
CCCNC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Complexity: 275
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Complexity:
275
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.3