AA23309
1190865-44-1 | 1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanone
Manufacturer: A2B Chem
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CatalogNumber
AA23309
ChemicalName
1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanone
CasNumber
1190865-44-1
MolecularFormula
C8H2Cl2F4O
MolecularWeight
261.0005
MdlNumber
MFCD23382507
Smiles
O=C(C(F)(F)F)c1cc(Cl)c(c(c1)Cl)F
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
4.1
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CatalogNumber: AA23309
ChemicalName: 1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanone
CasNumber: 1190865-44-1
MolecularFormula: C8H2Cl2F4O
MolecularWeight: 261.0005
MdlNumber: MFCD23382507
Smiles: O=C(C(F)(F)F)c1cc(Cl)c(c(c1)Cl)F
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 4.1
CatalogNumber:
AA23309
ChemicalName:
1-(3,5-Dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanone
CasNumber:
1190865-44-1
MolecularFormula:
C8H2Cl2F4O
MolecularWeight:
261.0005
MdlNumber:
MFCD23382507
Smiles:
O=C(C(F)(F)F)c1cc(Cl)c(c(c1)Cl)F
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(F)(F)F)c1cc(Br)cc(c1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(F)(F)F)c1cc(Br)cc(c1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA23311
ChemicalName: 5-Bromo-6-methylnicotinic acid
CasNumber: 1190862-72-6
MolecularFormula: C7H6BrNO2
MolecularWeight: 216.032
MdlNumber: MFCD18257500
Smiles: OC(=O)c1cnc(c(c1)Br)C
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AA23311
ChemicalName:
5-Bromo-6-methylnicotinic acid
CasNumber:
1190862-72-6
MolecularFormula:
C7H6BrNO2
MolecularWeight:
216.032
MdlNumber:
MFCD18257500
Smiles:
OC(=O)c1cnc(c(c1)Br)C
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc(c(c1)Br)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc(c(c1)Br)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__