AC99059
91090-86-7 | Ethyl 2-cyano-2-(4-nitrophenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AC99059
ChemicalName
Ethyl 2-cyano-2-(4-nitrophenyl)acetate
CasNumber
91090-86-7
MolecularFormula
C11H10N2O4
MolecularWeight
234.2081
MdlNumber
MFCD03412571
Smiles
CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])C#N
Complexity
333
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AC99059
ChemicalName: Ethyl 2-cyano-2-(4-nitrophenyl)acetate
CasNumber: 91090-86-7
MolecularFormula: C11H10N2O4
MolecularWeight: 234.2081
MdlNumber: MFCD03412571
Smiles: CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])C#N
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AC99059
ChemicalName:
Ethyl 2-cyano-2-(4-nitrophenyl)acetate
CasNumber:
91090-86-7
MolecularFormula:
C11H10N2O4
MolecularWeight:
234.2081
MdlNumber:
MFCD03412571
Smiles:
CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])C#N
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(=O)N1C(=O)OC[C@@H]1C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)N1C(=O)OC[C@@H]1C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AC99062
ChemicalName: 3-Iodo-6-methoxy-1h-indazole
CasNumber: 936138-17-9
MolecularFormula: C8H7IN2O
MolecularWeight: 274.0584
MdlNumber: MFCD09266218
Smiles: COc1ccc2c(c1)[nH]nc2I
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AC99062
ChemicalName:
3-Iodo-6-methoxy-1h-indazole
CasNumber:
936138-17-9
MolecularFormula:
C8H7IN2O
MolecularWeight:
274.0584
MdlNumber:
MFCD09266218
Smiles:
COc1ccc2c(c1)[nH]nc2I
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCC1CCOC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCC1CCOC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__