AB01258
178748-05-5 | Methyl 2-fluoro-3-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB01258
ChemicalName
Methyl 2-fluoro-3-(trifluoromethyl)benzoate
CasNumber
178748-05-5
MolecularFormula
C9H6F4O2
MolecularWeight
222.1364
MdlNumber
MFCD06203703
Smiles
COC(=O)c1cccc(c1F)C(F)(F)F
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB01258
ChemicalName: Methyl 2-fluoro-3-(trifluoromethyl)benzoate
CasNumber: 178748-05-5
MolecularFormula: C9H6F4O2
MolecularWeight: 222.1364
MdlNumber: MFCD06203703
Smiles: COC(=O)c1cccc(c1F)C(F)(F)F
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB01258
ChemicalName:
Methyl 2-fluoro-3-(trifluoromethyl)benzoate
CasNumber:
178748-05-5
MolecularFormula:
C9H6F4O2
MolecularWeight:
222.1364
MdlNumber:
MFCD06203703
Smiles:
COC(=O)c1cccc(c1F)C(F)(F)F
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc2c1c(=O)[nH]o2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc2c1c(=O)[nH]o2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc2c1c(=O)[nH]o2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc2c1c(=O)[nH]o2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB01261
ChemicalName: Methyl 2-fluoro-6-methoxybenzoate
CasNumber: 178747-79-0
MolecularFormula: C9H9FO3
MolecularWeight: 184.1644
MdlNumber: MFCD03788537
Smiles: COC(=O)c1c(F)cccc1OC
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB01261
ChemicalName:
Methyl 2-fluoro-6-methoxybenzoate
CasNumber:
178747-79-0
MolecularFormula:
C9H9FO3
MolecularWeight:
184.1644
MdlNumber:
MFCD03788537
Smiles:
COC(=O)c1c(F)cccc1OC
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.8