AI41572
18483-99-3 | 2-((4-Nitrobenzyl)oxy)tetrahydro-2h-pyran
Manufacturer: A2B Chem
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CatalogNumber
AI41572
ChemicalName
2-((4-Nitrobenzyl)oxy)tetrahydro-2h-pyran
CasNumber
18483-99-3
MolecularFormula
C12H15NO4
MolecularWeight
237.2518
MdlNumber
MFCD27946518
Smiles
[O-][N+](=O)c1ccc(cc1)COC1CCCCO1
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AI41572
ChemicalName: 2-((4-Nitrobenzyl)oxy)tetrahydro-2h-pyran
CasNumber: 18483-99-3
MolecularFormula: C12H15NO4
MolecularWeight: 237.2518
MdlNumber: MFCD27946518
Smiles: [O-][N+](=O)c1ccc(cc1)COC1CCCCO1
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AI41572
ChemicalName:
2-((4-Nitrobenzyl)oxy)tetrahydro-2h-pyran
CasNumber:
18483-99-3
MolecularFormula:
C12H15NO4
MolecularWeight:
237.2518
MdlNumber:
MFCD27946518
Smiles:
[O-][N+](=O)c1ccc(cc1)COC1CCCCO1
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H]1CN(C[C@@H]1C(F)(F)F)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)[C@H]1CN(C[C@@H]1C(F)(F)F)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Cc1ccccc1C1(O)CCNCC1.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1ccccc1C1(O)CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(=C1CCCCCCCCCCC1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)C(=C1CCCCCCCCCCC1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__