AA95966
180636-50-4 | Methyl 4-fluoro-3-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA95966
ChemicalName
Methyl 4-fluoro-3-methylbenzoate
CasNumber
180636-50-4
MolecularFormula
C9H9FO2
MolecularWeight
168.165
MdlNumber
MFCD06203783
Smiles
COC(=O)c1ccc(c(c1)C)F
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AA95966
ChemicalName: Methyl 4-fluoro-3-methylbenzoate
CasNumber: 180636-50-4
MolecularFormula: C9H9FO2
MolecularWeight: 168.165
MdlNumber: MFCD06203783
Smiles: COC(=O)c1ccc(c(c1)C)F
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AA95966
ChemicalName:
Methyl 4-fluoro-3-methylbenzoate
CasNumber:
180636-50-4
MolecularFormula:
C9H9FO2
MolecularWeight:
168.165
MdlNumber:
MFCD06203783
Smiles:
COC(=O)c1ccc(c(c1)C)F
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AA95967
ChemicalName: 3-[4-(trifluoromethyl)phenyl]propanol
CasNumber: 180635-74-9
MolecularFormula: C10H11F3O
MolecularWeight: 204.1889
MdlNumber: MFCD09028744
Smiles: OCCCc1ccc(cc1)C(F)(F)F
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA95967
ChemicalName:
3-[4-(trifluoromethyl)phenyl]propanol
CasNumber:
180635-74-9
MolecularFormula:
C10H11F3O
MolecularWeight:
204.1889
MdlNumber:
MFCD09028744
Smiles:
OCCCc1ccc(cc1)C(F)(F)F
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.7
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Smiles: O=C(c1ccccc1)COc1ccccc1[N+](=O)[O-]
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O=C(c1ccccc1)COc1ccccc1[N+](=O)[O-]
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Smiles: FC(c1c[nH]c(=O)c(c1)Cl)F
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Smiles:
FC(c1c[nH]c(=O)c(c1)Cl)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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