AI42542
1881295-62-0 | 5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI42542
ChemicalName
5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CasNumber
1881295-62-0
MolecularFormula
C8H3BrF4O2
MolecularWeight
287.00583279999995
MdlNumber
MFCD29043332
Smiles
Brc1cc(C(=O)O)c(c(c1)C(F)(F)F)F
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AI42542
ChemicalName: 5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CasNumber: 1881295-62-0
MolecularFormula: C8H3BrF4O2
MolecularWeight: 287.00583279999995
MdlNumber: MFCD29043332
Smiles: Brc1cc(C(=O)O)c(c(c1)C(F)(F)F)F
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AI42542
ChemicalName:
5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CasNumber:
1881295-62-0
MolecularFormula:
C8H3BrF4O2
MolecularWeight:
287.00583279999995
MdlNumber:
MFCD29043332
Smiles:
Brc1cc(C(=O)O)c(c(c1)C(F)(F)F)F
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOC1=C(C=CC(=C1F)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOC1=C(C=CC(=C1F)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC=C(C=C1)COC2=C(C(=C(C=C2)Br)Br)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C(C=C1)COC2=C(C(=C(C=C2)Br)Br)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(COc1cc(cc(c1)Cl)OC(F)(F)F)C
Complexity: 233
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(COc1cc(cc(c1)Cl)OC(F)(F)F)C
Complexity:
233
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5