AA77852
155814-22-5 | 3-Chloro-4-fluorocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AA77852
ChemicalName
3-Chloro-4-fluorocinnamic acid
CasNumber
155814-22-5
MolecularFormula
C9H6ClFO2
MolecularWeight
200.5941
MdlNumber
MFCD01631393
Smiles
OC(=O)/C=C/c1ccc(c(c1)Cl)F
Complexity
218
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AA77852
ChemicalName: 3-Chloro-4-fluorocinnamic acid
CasNumber: 155814-22-5
MolecularFormula: C9H6ClFO2
MolecularWeight: 200.5941
MdlNumber: MFCD01631393
Smiles: OC(=O)/C=C/c1ccc(c(c1)Cl)F
Complexity: 218
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AA77852
ChemicalName:
3-Chloro-4-fluorocinnamic acid
CasNumber:
155814-22-5
MolecularFormula:
C9H6ClFO2
MolecularWeight:
200.5941
MdlNumber:
MFCD01631393
Smiles:
OC(=O)/C=C/c1ccc(c(c1)Cl)F
Complexity:
218
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AA77853
ChemicalName: 3,5-Bis(trifluoromethyl)cinnamic acid
CasNumber: 155814-20-3
MolecularFormula: C11H6F6O2
MolecularWeight: 284.1546
MdlNumber: MFCD00799487
Smiles: OC(=O)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 335
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AA77853
ChemicalName:
3,5-Bis(trifluoromethyl)cinnamic acid
CasNumber:
155814-20-3
MolecularFormula:
C11H6F6O2
MolecularWeight:
284.1546
MdlNumber:
MFCD00799487
Smiles:
OC(=O)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
335
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.6
CatalogNumber: AA77857
ChemicalName: (R)-(S)-Josiphos
CasNumber: 155806-35-2
MolecularFormula: C36H38FeP2
MolecularWeight: 588.4794419999998
MdlNumber: MFCD00800284
Smiles: C[C@H]([C]12=C3[CH]4=[CH]5[C-]1(P(c1ccccc1)c1ccccc1)[Fe+2]16782345[c-]2c1c7c8c62)P(C1CCCCC1)C1CCCCC1
Complexity: 644
Covalently-bondedUnitCount: 3
DefinedBondStereocenterCount: __
HeavyAtomCount: 39
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: __
CatalogNumber:
AA77857
ChemicalName:
(R)-(S)-Josiphos
CasNumber:
155806-35-2
MolecularFormula:
C36H38FeP2
MolecularWeight:
588.4794419999998
MdlNumber:
MFCD00800284
Smiles:
C[C@H]([C]12=C3[CH]4=[CH]5[C-]1(P(c1ccccc1)c1ccccc1)[Fe+2]16782345[c-]2c1c7c8c62)P(C1CCCCC1)C1CCCCC1
Complexity:
644
Covalently-bondedUnitCount:
3
DefinedBondStereocenterCount:
__
HeavyAtomCount:
39
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(C(F)(F)F)(C1CCCC=C1N1CCOCC1)N)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(C(F)(F)F)(C1CCCC=C1N1CCOCC1)N)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__