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AA99386

176694-36-3 | Methyl 4-fluoro-3-(trifluoromethyl)benzoate

Manufacturer: A2B Chem

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CatalogNumber

AA99386

ChemicalName

Methyl 4-fluoro-3-(trifluoromethyl)benzoate

CasNumber

176694-36-3

MolecularFormula

C9H6F4O2

MolecularWeight

222.1364

MdlNumber

MFCD06203709

Smiles

COC(=O)c1ccc(c(c1)C(F)(F)F)F

Complexity

239

Covalently-bondedUnitCount

1

HeavyAtomCount

15

HydrogenBondAcceptorCount

6

RotatableBondCount

2

Xlogp3

2.8

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Img

A2B Chem

AA99386

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CatalogNumber:
AA99386
ChemicalName:
Methyl 4-fluoro-3-(trifluoromethyl)benzoate
CasNumber:
176694-36-3
MolecularFormula:
C9H6F4O2
MolecularWeight:
222.1364
MdlNumber:
MFCD06203709
Smiles:
COC(=O)c1ccc(c(c1)C(F)(F)F)F
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
2.8

Img

A2B Chem

AA99387

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CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)Nc1ccccc1c1nc2c([nH]1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__

Img

A2B Chem

AA99390

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CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__

Img

A2B Chem

AA99391

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CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC
Complexity:
544
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
21.7