AE08883
1110709-70-0 | 3-Iodo-4-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE08883
ChemicalName
3-Iodo-4-(trifluoromethoxy)benzoic acid
CasNumber
1110709-70-0
MolecularFormula
C8H4F3IO3
MolecularWeight
332.0152
MdlNumber
MFCD08459287
Smiles
Ic1cc(ccc1OC(F)(F)F)C(=O)O
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AE08883
ChemicalName: 3-Iodo-4-(trifluoromethoxy)benzoic acid
CasNumber: 1110709-70-0
MolecularFormula: C8H4F3IO3
MolecularWeight: 332.0152
MdlNumber: MFCD08459287
Smiles: Ic1cc(ccc1OC(F)(F)F)C(=O)O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AE08883
ChemicalName:
3-Iodo-4-(trifluoromethoxy)benzoic acid
CasNumber:
1110709-70-0
MolecularFormula:
C8H4F3IO3
MolecularWeight:
332.0152
MdlNumber:
MFCD08459287
Smiles:
Ic1cc(ccc1OC(F)(F)F)C(=O)O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F.Cl
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:
NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C[C@@H]1CNC(=S)O1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C[C@@H]1CNC(=S)O1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: CC1=CC2Cc3c(C4(C1)C2CCCN4)ccc(=O)[nH]3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=CC2Cc3c(C4(C1)C2CCCN4)ccc(=O)[nH]3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__