AE61951
1375068-70-4 | 2-Isobutoxy-3-nitrotoluene
Manufacturer: A2B Chem
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CatalogNumber
AE61951
ChemicalName
2-Isobutoxy-3-nitrotoluene
CasNumber
1375068-70-4
MolecularFormula
C11H15NO3
MolecularWeight
209.2417
MdlNumber
MFCD22205728
Smiles
CC(COc1c(C)cccc1[N+](=O)[O-])C
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AE61951
ChemicalName: 2-Isobutoxy-3-nitrotoluene
CasNumber: 1375068-70-4
MolecularFormula: C11H15NO3
MolecularWeight: 209.2417
MdlNumber: MFCD22205728
Smiles: CC(COc1c(C)cccc1[N+](=O)[O-])C
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AE61951
ChemicalName:
2-Isobutoxy-3-nitrotoluene
CasNumber:
1375068-70-4
MolecularFormula:
C11H15NO3
MolecularWeight:
209.2417
MdlNumber:
MFCD22205728
Smiles:
CC(COc1c(C)cccc1[N+](=O)[O-])C
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)OC(F)(F)F)CCC1CCCC1
Complexity: 314
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 5.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)OC(F)(F)F)CCC1CCCC1
Complexity:
314
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
5.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)Cc1c(F)cccc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)Cc1c(F)cccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc(c1)S(=O)(=O)CC1CC1
Complexity: 290
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cccc(c1)S(=O)(=O)CC1CC1
Complexity:
290
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1