AA20210
115029-23-7 | 2-Fluoro-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA20210
ChemicalName
2-Fluoro-5-(trifluoromethyl)benzoic acid
CasNumber
115029-23-7
MolecularFormula
C8H4F4O2
MolecularWeight
208.10977279999997
MdlNumber
MFCD00061292
Smiles
OC(=O)c1cc(ccc1F)C(F)(F)F
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AA20210
ChemicalName: 2-Fluoro-5-(trifluoromethyl)benzoic acid
CasNumber: 115029-23-7
MolecularFormula: C8H4F4O2
MolecularWeight: 208.10977279999997
MdlNumber: MFCD00061292
Smiles: OC(=O)c1cc(ccc1F)C(F)(F)F
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AA20210
ChemicalName:
2-Fluoro-5-(trifluoromethyl)benzoic acid
CasNumber:
115029-23-7
MolecularFormula:
C8H4F4O2
MolecularWeight:
208.10977279999997
MdlNumber:
MFCD00061292
Smiles:
OC(=O)c1cc(ccc1F)C(F)(F)F
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1F)C(F)(F)F
Complexity: 226
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1F)C(F)(F)F
Complexity:
226
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@H](C3)C(=C1)C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@H](C3)C(=C1)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CSc1cc(F)c(cc1F)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CSc1cc(F)c(cc1F)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__