AE11728
112809-54-8 | 4-(Imidazol-1-ylmethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE11728
ChemicalName
4-(Imidazol-1-ylmethyl)benzonitrile
CasNumber
112809-54-8
MolecularFormula
C11H9N3
MolecularWeight
183.2093
MdlNumber
MFCD08060525
Smiles
N#Cc1ccc(cc1)Cn1cncc1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AE11728
ChemicalName: 4-(Imidazol-1-ylmethyl)benzonitrile
CasNumber: 112809-54-8
MolecularFormula: C11H9N3
MolecularWeight: 183.2093
MdlNumber: MFCD08060525
Smiles: N#Cc1ccc(cc1)Cn1cncc1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AE11728
ChemicalName:
4-(Imidazol-1-ylmethyl)benzonitrile
CasNumber:
112809-54-8
MolecularFormula:
C11H9N3
MolecularWeight:
183.2093
MdlNumber:
MFCD08060525
Smiles:
N#Cc1ccc(cc1)Cn1cncc1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: 359
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
359
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CCN4CCOCC4
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CCN4CCOCC4
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(C)ccc1I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(C)ccc1I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__