AB18062
207742-85-6 | 2,3,4-Trifluorocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB18062
ChemicalName
2,3,4-Trifluorocinnamic acid
CasNumber
207742-85-6
MolecularFormula
C9H5F3O2
MolecularWeight
202.13
MdlNumber
MFCD00083552
Smiles
OC(=O)C=Cc1ccc(c(c1F)F)F
Complexity
242
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AB18062
ChemicalName: 2,3,4-Trifluorocinnamic acid
CasNumber: 207742-85-6
MolecularFormula: C9H5F3O2
MolecularWeight: 202.13
MdlNumber: MFCD00083552
Smiles: OC(=O)C=Cc1ccc(c(c1F)F)F
Complexity: 242
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB18062
ChemicalName:
2,3,4-Trifluorocinnamic acid
CasNumber:
207742-85-6
MolecularFormula:
C9H5F3O2
MolecularWeight:
202.13
MdlNumber:
MFCD00083552
Smiles:
OC(=O)C=Cc1ccc(c(c1F)F)F
Complexity:
242
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(F)(F)F)C1C(=O)[C@@]2(C([C@H]1CC2)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(C(F)(F)F)C1C(=O)[C@@]2(C([C@H]1CC2)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.Nc1c(N)ncnc1N.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.Nc1c(N)ncnc1N.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(sc1c1sc(cc1Br)[Si](C)(C)C)[Si](C)(C)C
Complexity: 320
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(sc1c1sc(cc1Br)[Si](C)(C)C)[Si](C)(C)C
Complexity:
320
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__