AF62176
254895-42-6 | 2-Methyl-2-(3-(trifluoromethylphenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF62176
ChemicalName
2-Methyl-2-(3-(trifluoromethylphenyl)propanoic acid
CasNumber
254895-42-6
MolecularFormula
C11H11F3O2
MolecularWeight
232.199
MdlNumber
MFCD11036961
Smiles
OC(=O)C(c1cccc(c1)C(F)(F)F)(C)C
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AF62176
ChemicalName: 2-Methyl-2-(3-(trifluoromethylphenyl)propanoic acid
CasNumber: 254895-42-6
MolecularFormula: C11H11F3O2
MolecularWeight: 232.199
MdlNumber: MFCD11036961
Smiles: OC(=O)C(c1cccc(c1)C(F)(F)F)(C)C
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AF62176
ChemicalName:
2-Methyl-2-(3-(trifluoromethylphenyl)propanoic acid
CasNumber:
254895-42-6
MolecularFormula:
C11H11F3O2
MolecularWeight:
232.199
MdlNumber:
MFCD11036961
Smiles:
OC(=O)C(c1cccc(c1)C(F)(F)F)(C)C
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: AF62177
ChemicalName: 3-Formyl-4-methoxybenzonitrile
CasNumber: 21962-53-8
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD00810550
Smiles: O=Cc1cc(C#N)ccc1OC
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AF62177
ChemicalName:
3-Formyl-4-methoxybenzonitrile
CasNumber:
21962-53-8
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD00810550
Smiles:
O=Cc1cc(C#N)ccc1OC
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1ccc(cc1)OCc1c(F)cccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1ccc(cc1)OCc1c(F)cccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCc1cc(N)ncn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCc1cc(N)ncn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__