AC06131
87808-48-8 | Methyl 3-fluoro-4-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC06131
ChemicalName
Methyl 3-fluoro-4-methylbenzoate
CasNumber
87808-48-8
MolecularFormula
C9H9FO2
MolecularWeight
168.165
MdlNumber
MFCD06203786
Smiles
COC(=O)c1ccc(c(c1)F)C
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AC06131
ChemicalName: Methyl 3-fluoro-4-methylbenzoate
CasNumber: 87808-48-8
MolecularFormula: C9H9FO2
MolecularWeight: 168.165
MdlNumber: MFCD06203786
Smiles: COC(=O)c1ccc(c(c1)F)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AC06131
ChemicalName:
Methyl 3-fluoro-4-methylbenzoate
CasNumber:
87808-48-8
MolecularFormula:
C9H9FO2
MolecularWeight:
168.165
MdlNumber:
MFCD06203786
Smiles:
COC(=O)c1ccc(c(c1)F)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1)C#Cc1csc(n1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1)C#Cc1csc(n1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)C=C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)C=C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC06164
ChemicalName: L-(-)-Sorbose
CasNumber: 87-79-6
MolecularFormula: C6H12O6
MolecularWeight: 180.1559
MdlNumber: MFCD00151097
Smiles: OC[C@@H]([C@H]([C@@H](C(=O)CO)O)O)O
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: -3.2
CatalogNumber:
AC06164
ChemicalName:
L-(-)-Sorbose
CasNumber:
87-79-6
MolecularFormula:
C6H12O6
MolecularWeight:
180.1559
MdlNumber:
MFCD00151097
Smiles:
OC[C@@H]([C@H]([C@@H](C(=O)CO)O)O)O
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
-3.2