AA49076
1365272-84-9 | Methyl 5-(4-cyanophenyl)-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA49076
ChemicalName
Methyl 5-(4-cyanophenyl)-2-fluorobenzoate
CasNumber
1365272-84-9
MolecularFormula
C15H10FNO2
MolecularWeight
255.2438
MdlNumber
MFCD21609644
Smiles
N#Cc1ccc(cc1)c1ccc(c(c1)C(=O)OC)F
Complexity
368
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA49076
ChemicalName: Methyl 5-(4-cyanophenyl)-2-fluorobenzoate
CasNumber: 1365272-84-9
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD21609644
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)C(=O)OC)F
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA49076
ChemicalName:
Methyl 5-(4-cyanophenyl)-2-fluorobenzoate
CasNumber:
1365272-84-9
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD21609644
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)C(=O)OC)F
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AA49077
ChemicalName: Methyl 3-(3-cyanophenyl)-5-fluorobenzoate
CasNumber: 1365272-83-8
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD21609624
Smiles: N#Cc1cccc(c1)c1cc(F)cc(c1)C(=O)OC
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA49077
ChemicalName:
Methyl 3-(3-cyanophenyl)-5-fluorobenzoate
CasNumber:
1365272-83-8
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD21609624
Smiles:
N#Cc1cccc(c1)c1cc(F)cc(c1)C(=O)OC
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AA49078
ChemicalName: 2-Fluoro-4-(3-fluoro-5-methoxyphenyl)benzoic acid
CasNumber: 1365272-82-7
MolecularFormula: C14H10F2O3
MolecularWeight: 264.2242
MdlNumber: MFCD21609598
Smiles: COc1cc(F)cc(c1)c1ccc(c(c1)F)C(=O)O
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA49078
ChemicalName:
2-Fluoro-4-(3-fluoro-5-methoxyphenyl)benzoic acid
CasNumber:
1365272-82-7
MolecularFormula:
C14H10F2O3
MolecularWeight:
264.2242
MdlNumber:
MFCD21609598
Smiles:
COc1cc(F)cc(c1)c1ccc(c(c1)F)C(=O)O
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc2n(nnc2cc1Br)C1CCCCC1
Complexity: 273
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc2n(nnc2cc1Br)C1CCCCC1
Complexity:
273
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9