AA57088
1381944-85-9 | Dimethyl 2-fluorobiphenyl-3,3'-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA57088
ChemicalName
Dimethyl 2-fluorobiphenyl-3,3'-dicarboxylate
CasNumber
1381944-85-9
MolecularFormula
C16H13FO4
MolecularWeight
288.2704
MdlNumber
MFCD22375056
Smiles
COC(=O)c1cccc(c1)c1cccc(c1F)C(=O)OC
Complexity
385
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
3.4
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CatalogNumber: AA57088
ChemicalName: Dimethyl 2-fluorobiphenyl-3,3'-dicarboxylate
CasNumber: 1381944-85-9
MolecularFormula: C16H13FO4
MolecularWeight: 288.2704
MdlNumber: MFCD22375056
Smiles: COC(=O)c1cccc(c1)c1cccc(c1F)C(=O)OC
Complexity: 385
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 3.4
CatalogNumber:
AA57088
ChemicalName:
Dimethyl 2-fluorobiphenyl-3,3'-dicarboxylate
CasNumber:
1381944-85-9
MolecularFormula:
C16H13FO4
MolecularWeight:
288.2704
MdlNumber:
MFCD22375056
Smiles:
COC(=O)c1cccc(c1)c1cccc(c1F)C(=O)OC
Complexity:
385
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C)cc(cc1N)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C)cc(cc1N)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA57090
ChemicalName: 2-tert-Butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CasNumber: 1381944-83-7
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD22375029
Smiles: COc1ccc2c(c1)C(O)N(C2=O)C(C)(C)C
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AA57090
ChemicalName:
2-tert-Butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CasNumber:
1381944-83-7
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD22375029
Smiles:
COc1ccc2c(c1)C(O)N(C2=O)C(C)(C)C
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AA57091
ChemicalName: 2-Fluoro-4-(3-methylphenyl)benzonitrile
CasNumber: 1381944-81-5
MolecularFormula: C14H10FN
MolecularWeight: 211.2343
MdlNumber: MFCD22375071
Smiles: N#Cc1ccc(cc1F)c1cccc(c1)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AA57091
ChemicalName:
2-Fluoro-4-(3-methylphenyl)benzonitrile
CasNumber:
1381944-81-5
MolecularFormula:
C14H10FN
MolecularWeight:
211.2343
MdlNumber:
MFCD22375071
Smiles:
N#Cc1ccc(cc1F)c1cccc(c1)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.7