AB52909
1246213-27-3 | 2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AB52909
ChemicalName
2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile
CasNumber
1246213-27-3
MolecularFormula
C21H25NO
MolecularWeight
307.4293
MdlNumber
MFCD26393887
Smiles
N#CC(c1cc(ccc1OCc1ccccc1)C(C)(C)C)(C)C
Complexity
419
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
2
RotatableBondCount
5
Xlogp3
5.6
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CatalogNumber: AB52909
ChemicalName: 2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile
CasNumber: 1246213-27-3
MolecularFormula: C21H25NO
MolecularWeight: 307.4293
MdlNumber: MFCD26393887
Smiles: N#CC(c1cc(ccc1OCc1ccccc1)C(C)(C)C)(C)C
Complexity: 419
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 2
RotatableBondCount: 5
Xlogp3: 5.6
CatalogNumber:
AB52909
ChemicalName:
2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile
CasNumber:
1246213-27-3
MolecularFormula:
C21H25NO
MolecularWeight:
307.4293
MdlNumber:
MFCD26393887
Smiles:
N#CC(c1cc(ccc1OCc1ccccc1)C(C)(C)C)(C)C
Complexity:
419
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
2
RotatableBondCount:
5
Xlogp3:
5.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)NC1CCC(C1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)NC1CCC(C1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52911
ChemicalName: (2S,3R,5S)-5-(4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CasNumber: 908130-61-0
MolecularFormula: C11H13IN4O3
MolecularWeight: 376.1504
MdlNumber: MFCD13195442
Smiles: OC[C@@H]1O[C@@H](C[C@H]1O)n1cc(c2c1ncnc2N)I
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB52911
ChemicalName:
(2S,3R,5S)-5-(4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CasNumber:
908130-61-0
MolecularFormula:
C11H13IN4O3
MolecularWeight:
376.1504
MdlNumber:
MFCD13195442
Smiles:
OC[C@@H]1O[C@@H](C[C@H]1O)n1cc(c2c1ncnc2N)I
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1cccc2c1[nH]cn2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1cccc2c1[nH]cn2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__