AB35462
288309-07-9 | 5-Acetyl-2-fluorobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB35462
ChemicalName
5-Acetyl-2-fluorobenzonitrile
CasNumber
288309-07-9
MolecularFormula
C9H6FNO
MolecularWeight
163.1484
MdlNumber
MFCD09831931
Smiles
N#Cc1cc(ccc1F)C(=O)C
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AB35462
ChemicalName: 5-Acetyl-2-fluorobenzonitrile
CasNumber: 288309-07-9
MolecularFormula: C9H6FNO
MolecularWeight: 163.1484
MdlNumber: MFCD09831931
Smiles: N#Cc1cc(ccc1F)C(=O)C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB35462
ChemicalName:
5-Acetyl-2-fluorobenzonitrile
CasNumber:
288309-07-9
MolecularFormula:
C9H6FNO
MolecularWeight:
163.1484
MdlNumber:
MFCD09831931
Smiles:
N#Cc1cc(ccc1F)C(=O)C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOc1c(Br)c(Br)c(c(c1C#N)C#N)OCCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOc1c(Br)c(Br)c(c(c1C#N)C#N)OCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB35476
ChemicalName: Alpha-asarone
CasNumber: 2883-98-9
MolecularFormula: C12H16O3
MolecularWeight: 208.2536
MdlNumber: MFCD00064457
Smiles: C/C=C/c1cc(OC)c(cc1OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB35476
ChemicalName:
Alpha-asarone
CasNumber:
2883-98-9
MolecularFormula:
C12H16O3
MolecularWeight:
208.2536
MdlNumber:
MFCD00064457
Smiles:
C/C=C/c1cc(OC)c(cc1OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__