AI05787
10298-81-4 | 4-Ethoxy-1-fluoro-2-nitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI05787
ChemicalName
4-Ethoxy-1-fluoro-2-nitrobenzene
CasNumber
10298-81-4
MolecularFormula
C8H8FNO3
MolecularWeight
185.1524
MdlNumber
MFCD17014026
Smiles
CCOc1ccc(c(c1)[N+](=O)[O-])F
Complexity
183
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AI05787
ChemicalName: 4-Ethoxy-1-fluoro-2-nitrobenzene
CasNumber: 10298-81-4
MolecularFormula: C8H8FNO3
MolecularWeight: 185.1524
MdlNumber: MFCD17014026
Smiles: CCOc1ccc(c(c1)[N+](=O)[O-])F
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AI05787
ChemicalName:
4-Ethoxy-1-fluoro-2-nitrobenzene
CasNumber:
10298-81-4
MolecularFormula:
C8H8FNO3
MolecularWeight:
185.1524
MdlNumber:
MFCD17014026
Smiles:
CCOc1ccc(c(c1)[N+](=O)[O-])F
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=CC=CC=C1C2NC(CS2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=CC=CC=C1C2NC(CS2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI05789
ChemicalName: Trelagliptin succinate
CasNumber: 1029877-94-8
MolecularFormula: C22H26FN5O6
MolecularWeight: 475.4701
MdlNumber: MFCD22665720
Smiles: OC(=O)CCC(=O)O.N#Cc1ccc(cc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N)F
Complexity: 750
Covalently-bondedUnitCount: 2
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 10
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AI05789
ChemicalName:
Trelagliptin succinate
CasNumber:
1029877-94-8
MolecularFormula:
C22H26FN5O6
MolecularWeight:
475.4701
MdlNumber:
MFCD22665720
Smiles:
OC(=O)CCC(=O)O.N#Cc1ccc(cc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N)F
Complexity:
750
Covalently-bondedUnitCount:
2
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
10
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C=Cc1ccccc1
Complexity: 167
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C=Cc1ccccc1
Complexity:
167
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6