AA21618
115754-21-7 | 3-Fluoro-4-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA21618
ChemicalName
3-Fluoro-4-(trifluoromethyl)benzoic acid
CasNumber
115754-21-7
MolecularFormula
C8H4F4O2
MolecularWeight
208.1098
MdlNumber
MFCD00236279
Smiles
OC(=O)c1ccc(c(c1)F)C(F)(F)F
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AA21618
ChemicalName: 3-Fluoro-4-(trifluoromethyl)benzoic acid
CasNumber: 115754-21-7
MolecularFormula: C8H4F4O2
MolecularWeight: 208.1098
MdlNumber: MFCD00236279
Smiles: OC(=O)c1ccc(c(c1)F)C(F)(F)F
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AA21618
ChemicalName:
3-Fluoro-4-(trifluoromethyl)benzoic acid
CasNumber:
115754-21-7
MolecularFormula:
C8H4F4O2
MolecularWeight:
208.1098
MdlNumber:
MFCD00236279
Smiles:
OC(=O)c1ccc(c(c1)F)C(F)(F)F
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)Cl)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)Cl)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C1OCCC1=CC[C@H]1[C@]2(CC[C@@H]3[C@]1(C)CCCC3(C)C)OC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1OCCC1=CC[C@H]1[C@]2(CC[C@@H]3[C@]1(C)CCCC3(C)C)OC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1onc(n1)c1cnccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1onc(n1)c1cnccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__