AA49090
1365272-67-8 | Methyl 4-(3-cyanophenyl)-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA49090
ChemicalName
Methyl 4-(3-cyanophenyl)-2-fluorobenzoate
CasNumber
1365272-67-8
MolecularFormula
C15H10FNO2
MolecularWeight
255.2438
MdlNumber
MFCD21609639
Smiles
COC(=O)c1ccc(cc1F)c1cccc(c1)C#N
Complexity
376
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA49090
ChemicalName: Methyl 4-(3-cyanophenyl)-2-fluorobenzoate
CasNumber: 1365272-67-8
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD21609639
Smiles: COC(=O)c1ccc(cc1F)c1cccc(c1)C#N
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA49090
ChemicalName:
Methyl 4-(3-cyanophenyl)-2-fluorobenzoate
CasNumber:
1365272-67-8
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD21609639
Smiles:
COC(=O)c1ccc(cc1F)c1cccc(c1)C#N
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AA49091
ChemicalName: 3-(3-Chloro-4-fluorophenyl)benzonitrile
CasNumber: 1365272-66-7
MolecularFormula: C13H7ClFN
MolecularWeight: 231.6528
MdlNumber: MFCD21609626
Smiles: N#Cc1cccc(c1)c1ccc(c(c1)Cl)F
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 4
CatalogNumber:
AA49091
ChemicalName:
3-(3-Chloro-4-fluorophenyl)benzonitrile
CasNumber:
1365272-66-7
MolecularFormula:
C13H7ClFN
MolecularWeight:
231.6528
MdlNumber:
MFCD21609626
Smiles:
N#Cc1cccc(c1)c1ccc(c(c1)Cl)F
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
4
CatalogNumber: AA49092
ChemicalName: Ethyl 2-fluoro-4-(4-nitrophenyl)benzoate
CasNumber: 1365272-65-6
MolecularFormula: C15H12FNO4
MolecularWeight: 289.2585
MdlNumber: MFCD21609610
Smiles: CCOC(=O)c1ccc(cc1F)c1ccc(cc1)[N+](=O)[O-]
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AA49092
ChemicalName:
Ethyl 2-fluoro-4-(4-nitrophenyl)benzoate
CasNumber:
1365272-65-6
MolecularFormula:
C15H12FNO4
MolecularWeight:
289.2585
MdlNumber:
MFCD21609610
Smiles:
CCOC(=O)c1ccc(cc1F)c1ccc(cc1)[N+](=O)[O-]
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc(Br)c(cc1NC1CCCC1)F
Complexity: 209
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc(Br)c(cc1NC1CCCC1)F
Complexity:
209
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3