AF60282
39835-11-5 | 2-Hydroxy-4-methoxybenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF60282
ChemicalName
2-Hydroxy-4-methoxybenzonitrile
CasNumber
39835-11-5
MolecularFormula
C8H7NO2
MolecularWeight
149.14668
MdlNumber
MFCD08567959
Smiles
COc1ccc(c(c1)O)C#N
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AF60282
ChemicalName: 2-Hydroxy-4-methoxybenzonitrile
CasNumber: 39835-11-5
MolecularFormula: C8H7NO2
MolecularWeight: 149.14668
MdlNumber: MFCD08567959
Smiles: COc1ccc(c(c1)O)C#N
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AF60282
ChemicalName:
2-Hydroxy-4-methoxybenzonitrile
CasNumber:
39835-11-5
MolecularFormula:
C8H7NO2
MolecularWeight:
149.14668
MdlNumber:
MFCD08567959
Smiles:
COc1ccc(c(c1)O)C#N
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1csc(n1)c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1csc(n1)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF60286
ChemicalName: 1-Fluoro-3-iodo-5-nitrobenzene
CasNumber: 3819-88-3
MolecularFormula: C6H3FINO2
MolecularWeight: 266.9964
MdlNumber: MFCD00007219
Smiles: Fc1cc(I)cc(c1)[N+](=O)[O-]
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
AF60286
ChemicalName:
1-Fluoro-3-iodo-5-nitrobenzene
CasNumber:
3819-88-3
MolecularFormula:
C6H3FINO2
MolecularWeight:
266.9964
MdlNumber:
MFCD00007219
Smiles:
Fc1cc(I)cc(c1)[N+](=O)[O-]
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)[O-])C)C)O)C.[Na+].O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)[O-])C)C)O)C.[Na+].O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__