AA48999
1365271-87-9 | Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA48999
ChemicalName
Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate
CasNumber
1365271-87-9
MolecularFormula
C15H12FNO4
MolecularWeight
289.2585
MdlNumber
MFCD21609614
Smiles
CCOC(=O)c1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity
384
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
3.7
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CatalogNumber: AA48999
ChemicalName: Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate
CasNumber: 1365271-87-9
MolecularFormula: C15H12FNO4
MolecularWeight: 289.2585
MdlNumber: MFCD21609614
Smiles: CCOC(=O)c1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity: 384
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AA48999
ChemicalName:
Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate
CasNumber:
1365271-87-9
MolecularFormula:
C15H12FNO4
MolecularWeight:
289.2585
MdlNumber:
MFCD21609614
Smiles:
CCOC(=O)c1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity:
384
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc2nnn(c2cc1F)C(C)(C)C
Complexity: 243
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc2nnn(c2cc1F)C(C)(C)C
Complexity:
243
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: AA49001
ChemicalName: 4-Bromo-N-cyclohexyl-2-nitro-5-propoxyaniline
CasNumber: 1365271-84-6
MolecularFormula: C15H21BrN2O3
MolecularWeight: 357.2428
MdlNumber: MFCD21609505
Smiles: CCCOc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-]
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 5.7
CatalogNumber:
AA49001
ChemicalName:
4-Bromo-N-cyclohexyl-2-nitro-5-propoxyaniline
CasNumber:
1365271-84-6
MolecularFormula:
C15H21BrN2O3
MolecularWeight:
357.2428
MdlNumber:
MFCD21609505
Smiles:
CCCOc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-]
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
5.7
CatalogNumber: AA49002
ChemicalName: 3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
CasNumber: 1365271-83-5
MolecularFormula: C12H7F2NO2
MolecularWeight: 235.1863
MdlNumber: MFCD21609725
Smiles: Fc1cc(cc(c1)c1ncccc1F)C(=O)O
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AA49002
ChemicalName:
3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
CasNumber:
1365271-83-5
MolecularFormula:
C12H7F2NO2
MolecularWeight:
235.1863
MdlNumber:
MFCD21609725
Smiles:
Fc1cc(cc(c1)c1ncccc1F)C(=O)O
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.2