AB42071
3096-81-9 | 4-Phenoxybenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB42071
ChemicalName
4-Phenoxybenzonitrile
CasNumber
3096-81-9
MolecularFormula
C13H9NO
MolecularWeight
195.2167
MdlNumber
MFCD00017346
Smiles
N#Cc1ccc(cc1)Oc1ccccc1
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AB42071
ChemicalName: 4-Phenoxybenzonitrile
CasNumber: 3096-81-9
MolecularFormula: C13H9NO
MolecularWeight: 195.2167
MdlNumber: MFCD00017346
Smiles: N#Cc1ccc(cc1)Oc1ccccc1
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AB42071
ChemicalName:
4-Phenoxybenzonitrile
CasNumber:
3096-81-9
MolecularFormula:
C13H9NO
MolecularWeight:
195.2167
MdlNumber:
MFCD00017346
Smiles:
N#Cc1ccc(cc1)Oc1ccccc1
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc2c1c(=O)o[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc2c1c(=O)o[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB42073
ChemicalName: 4-Amino-2,5-dimethylphenol
CasNumber: 3096-71-7
MolecularFormula: C8H11NO
MolecularWeight: 137.179
MdlNumber: MFCD00007873
Smiles: Cc1cc(O)c(cc1N)C
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AB42073
ChemicalName:
4-Amino-2,5-dimethylphenol
CasNumber:
3096-71-7
MolecularFormula:
C8H11NO
MolecularWeight:
137.179
MdlNumber:
MFCD00007873
Smiles:
Cc1cc(O)c(cc1N)C
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: AB42074
ChemicalName: 4-Amino-3,5-xylenol
CasNumber: 3096-70-6
MolecularFormula: C8H11NO
MolecularWeight: 137.179
MdlNumber: MFCD01741459
Smiles: Oc1cc(C)c(c(c1)C)N
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
AB42074
ChemicalName:
4-Amino-3,5-xylenol
CasNumber:
3096-70-6
MolecularFormula:
C8H11NO
MolecularWeight:
137.179
MdlNumber:
MFCD01741459
Smiles:
Oc1cc(C)c(c(c1)C)N
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
0.7