AI46290
27220-47-9 | Econazole
Manufacturer: A2B Chem
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CatalogNumber
AI46290
ChemicalName
Econazole
CasNumber
27220-47-9
MolecularFormula
C18H15Cl3N2O
MolecularWeight
381.6835
MdlNumber
MFCD00800993
Smiles
C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
NscNumber
187789
Complexity
379
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
5.3
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CatalogNumber: AI46290
ChemicalName: Econazole
CasNumber: 27220-47-9
MolecularFormula: C18H15Cl3N2O
MolecularWeight: 381.6835
MdlNumber: MFCD00800993
Smiles: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
NscNumber: 187789
Complexity: 379
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 5.3
CatalogNumber:
AI46290
ChemicalName:
Econazole
CasNumber:
27220-47-9
MolecularFormula:
C18H15Cl3N2O
MolecularWeight:
381.6835
MdlNumber:
MFCD00800993
Smiles:
C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
NscNumber:
187789
Complexity:
379
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
5.3
CatalogNumber: AI46291
ChemicalName: 4-Pyridylmercapto acetyl chloride HCl
CasNumber: 27230-51-9
MolecularFormula: C7H7Cl2NOS
MolecularWeight: 224.1076
MdlNumber: MFCD00039045
Smiles: ClC(=O)CSc1ccncc1.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI46291
ChemicalName:
4-Pyridylmercapto acetyl chloride HCl
CasNumber:
27230-51-9
MolecularFormula:
C7H7Cl2NOS
MolecularWeight:
224.1076
MdlNumber:
MFCD00039045
Smiles:
ClC(=O)CSc1ccncc1.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(o1)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(o1)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccccc1Oc1cccc(c1)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccccc1Oc1cccc(c1)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__