AI39068
17257-71-5 | (S)-(-)-Alpha-methoxy-alpha-(trifluoromethyl)phenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI39068
ChemicalName
(S)-(-)-Alpha-methoxy-alpha-(trifluoromethyl)phenylacetic acid
CasNumber
17257-71-5
MolecularFormula
C10H9F3O3
MolecularWeight
234.17186959999995
MdlNumber
MFCD21332928
Smiles
CO[C@@](C(F)(F)F)(c1ccccc1)C(=O)O
Complexity
259
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AI39068
ChemicalName: (S)-(-)-Alpha-methoxy-alpha-(trifluoromethyl)phenylacetic acid
CasNumber: 17257-71-5
MolecularFormula: C10H9F3O3
MolecularWeight: 234.17186959999995
MdlNumber: MFCD21332928
Smiles: CO[C@@](C(F)(F)F)(c1ccccc1)C(=O)O
Complexity: 259
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AI39068
ChemicalName:
(S)-(-)-Alpha-methoxy-alpha-(trifluoromethyl)phenylacetic acid
CasNumber:
17257-71-5
MolecularFormula:
C10H9F3O3
MolecularWeight:
234.17186959999995
MdlNumber:
MFCD21332928
Smiles:
CO[C@@](C(F)(F)F)(c1ccccc1)C(=O)O
Complexity:
259
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nc2ccccc2cc1O
Complexity: 174
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nc2ccccc2cc1O
Complexity:
174
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNCc1ccc(cc1)Br.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNCc1ccc(cc1)Br.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccccc1B1OCCCO1
Complexity: 232
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccccc1B1OCCCO1
Complexity:
232
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__