AG32813
5203-15-6 | 4-(2-Methylpropoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AG32813
ChemicalName
4-(2-Methylpropoxy)benzonitrile
CasNumber
5203-15-6
MolecularFormula
C11H13NO
MolecularWeight
175.227
MdlNumber
MFCD08274895
Smiles
CC(COc1ccc(cc1)C#N)C
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AG32813
ChemicalName: 4-(2-Methylpropoxy)benzonitrile
CasNumber: 5203-15-6
MolecularFormula: C11H13NO
MolecularWeight: 175.227
MdlNumber: MFCD08274895
Smiles: CC(COc1ccc(cc1)C#N)C
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AG32813
ChemicalName:
4-(2-Methylpropoxy)benzonitrile
CasNumber:
5203-15-6
MolecularFormula:
C11H13NO
MolecularWeight:
175.227
MdlNumber:
MFCD08274895
Smiles:
CC(COc1ccc(cc1)C#N)C
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C)cccc1Br
Complexity: 105
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C)cccc1Br
Complexity:
105
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: AG32815
ChemicalName: 4-(3-Nitrophenyl)phenol
CasNumber: 53059-30-6
MolecularFormula: C12H9NO3
MolecularWeight: 215.2048
MdlNumber: MFCD09909462
Smiles: Oc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AG32815
ChemicalName:
4-(3-Nitrophenyl)phenol
CasNumber:
53059-30-6
MolecularFormula:
C12H9NO3
MolecularWeight:
215.2048
MdlNumber:
MFCD09909462
Smiles:
Oc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: AG32816
ChemicalName: 5-Bromo-2-(dimethylamino)benzonitrile
CasNumber: 501086-59-5
MolecularFormula: C9H9BrN2
MolecularWeight: 225.08515999999997
MdlNumber: MFCD21609719
Smiles: N#Cc1cc(Br)ccc1N(C)C
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AG32816
ChemicalName:
5-Bromo-2-(dimethylamino)benzonitrile
CasNumber:
501086-59-5
MolecularFormula:
C9H9BrN2
MolecularWeight:
225.08515999999997
MdlNumber:
MFCD21609719
Smiles:
N#Cc1cc(Br)ccc1N(C)C
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.5