AI61262
914636-20-7 | 4-Iodo-3-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI61262
ChemicalName
4-Iodo-3-(trifluoromethyl)benzoic acid
CasNumber
914636-20-7
MolecularFormula
C8H4F3IO2
MolecularWeight
316.0158396
MdlNumber
MFCD09258947
Smiles
OC(=O)c1ccc(c(c1)C(F)(F)F)I
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AI61262
ChemicalName: 4-Iodo-3-(trifluoromethyl)benzoic acid
CasNumber: 914636-20-7
MolecularFormula: C8H4F3IO2
MolecularWeight: 316.0158396
MdlNumber: MFCD09258947
Smiles: OC(=O)c1ccc(c(c1)C(F)(F)F)I
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AI61262
ChemicalName:
4-Iodo-3-(trifluoromethyl)benzoic acid
CasNumber:
914636-20-7
MolecularFormula:
C8H4F3IO2
MolecularWeight:
316.0158396
MdlNumber:
MFCD09258947
Smiles:
OC(=O)c1ccc(c(c1)C(F)(F)F)I
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(cc(c1)C(=O)N)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(cc(c1)C(=O)N)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc(cc(c1)Br)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc(cc(c1)Br)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI61265
ChemicalName: 1-Fluoro-2-(methylsulphonyl)-4-nitrobenzene
CasNumber: 914636-41-2
MolecularFormula: C7H6FNO4S
MolecularWeight: 219.1902
MdlNumber: MFCD08458079
Smiles: [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)F
Complexity: 318
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AI61265
ChemicalName:
1-Fluoro-2-(methylsulphonyl)-4-nitrobenzene
CasNumber:
914636-41-2
MolecularFormula:
C7H6FNO4S
MolecularWeight:
219.1902
MdlNumber:
MFCD08458079
Smiles:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)F
Complexity:
318
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.1