AA57138
1381952-88-0 | 5-Bromo-2-(trifluoromethoxy)cinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AA57138
ChemicalName
5-Bromo-2-(trifluoromethoxy)cinnamic acid
CasNumber
1381952-88-0
MolecularFormula
C10H6BrF3O3
MolecularWeight
311.052
MdlNumber
MFCD11042865
Smiles
OC(=O)C=Cc1cc(Br)ccc1OC(F)(F)F
Complexity
304
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AA57138
ChemicalName: 5-Bromo-2-(trifluoromethoxy)cinnamic acid
CasNumber: 1381952-88-0
MolecularFormula: C10H6BrF3O3
MolecularWeight: 311.052
MdlNumber: MFCD11042865
Smiles: OC(=O)C=Cc1cc(Br)ccc1OC(F)(F)F
Complexity: 304
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA57138
ChemicalName:
5-Bromo-2-(trifluoromethoxy)cinnamic acid
CasNumber:
1381952-88-0
MolecularFormula:
C10H6BrF3O3
MolecularWeight:
311.052
MdlNumber:
MFCD11042865
Smiles:
OC(=O)C=Cc1cc(Br)ccc1OC(F)(F)F
Complexity:
304
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AA57139
ChemicalName: 2-Bromo-6-(trifluoromethoxy)cinnamic acid
CasNumber: 1381952-87-9
MolecularFormula: C10H6BrF3O3
MolecularWeight: 311.052
MdlNumber: MFCD22375108
Smiles: OC(=O)C=Cc1c(Br)cccc1OC(F)(F)F
Complexity: 304
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA57139
ChemicalName:
2-Bromo-6-(trifluoromethoxy)cinnamic acid
CasNumber:
1381952-87-9
MolecularFormula:
C10H6BrF3O3
MolecularWeight:
311.052
MdlNumber:
MFCD22375108
Smiles:
OC(=O)C=Cc1c(Br)cccc1OC(F)(F)F
Complexity:
304
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AA57140
ChemicalName: (3E)-4-[2-Bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one
CasNumber: 1381952-86-8
MolecularFormula: C11H8BrF3O2
MolecularWeight: 309.0792
MdlNumber: MFCD22375109
Smiles: CC(=O)C=Cc1c(Br)cccc1OC(F)(F)F
Complexity: 302
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AA57140
ChemicalName:
(3E)-4-[2-Bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one
CasNumber:
1381952-86-8
MolecularFormula:
C11H8BrF3O2
MolecularWeight:
309.0792
MdlNumber:
MFCD22375109
Smiles:
CC(=O)C=Cc1c(Br)cccc1OC(F)(F)F
Complexity:
302
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C=Cc1cccc(c1F)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C=Cc1cccc(c1F)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__