AD24899
1355247-87-8 | Methyl 4-(3-fluoropyridin-2-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD24899
ChemicalName
Methyl 4-(3-fluoropyridin-2-yl)benzoate
CasNumber
1355247-87-8
MolecularFormula
C13H10FNO2
MolecularWeight
231.2224
MdlNumber
MFCD21333046
Smiles
COC(=O)c1ccc(cc1)c1ncccc1F
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AD24899
ChemicalName: Methyl 4-(3-fluoropyridin-2-yl)benzoate
CasNumber: 1355247-87-8
MolecularFormula: C13H10FNO2
MolecularWeight: 231.2224
MdlNumber: MFCD21333046
Smiles: COC(=O)c1ccc(cc1)c1ncccc1F
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AD24899
ChemicalName:
Methyl 4-(3-fluoropyridin-2-yl)benzoate
CasNumber:
1355247-87-8
MolecularFormula:
C13H10FNO2
MolecularWeight:
231.2224
MdlNumber:
MFCD21333046
Smiles:
COC(=O)c1ccc(cc1)c1ncccc1F
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AD24900
ChemicalName: 1-Chloro-3-fluoro-5-(3-nitrophenyl)benzene
CasNumber: 1355247-83-4
MolecularFormula: C12H7ClFNO2
MolecularWeight: 251.6409
MdlNumber: MFCD21332990
Smiles: Fc1cc(Cl)cc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 4.1
CatalogNumber:
AD24900
ChemicalName:
1-Chloro-3-fluoro-5-(3-nitrophenyl)benzene
CasNumber:
1355247-83-4
MolecularFormula:
C12H7ClFNO2
MolecularWeight:
251.6409
MdlNumber:
MFCD21332990
Smiles:
Fc1cc(Cl)cc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
4.1
CatalogNumber: AD24901
ChemicalName: 2-Chloro-4-methyl-1-(3-nitrophenyl)benzene
CasNumber: 1355247-82-3
MolecularFormula: C13H10ClNO2
MolecularWeight: 247.677
MdlNumber: MFCD21332973
Smiles: Cc1ccc(c(c1)Cl)c1cccc(c1)[N+](=O)[O-]
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 4.6
CatalogNumber:
AD24901
ChemicalName:
2-Chloro-4-methyl-1-(3-nitrophenyl)benzene
CasNumber:
1355247-82-3
MolecularFormula:
C13H10ClNO2
MolecularWeight:
247.677
MdlNumber:
MFCD21332973
Smiles:
Cc1ccc(c(c1)Cl)c1cccc(c1)[N+](=O)[O-]
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
4.6
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Smiles: [O-][N+](=O)c1cccc(c1)c1ccc(cc1)OCc1ccccc1
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Smiles:
[O-][N+](=O)c1cccc(c1)c1ccc(cc1)OCc1ccccc1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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