AA52188
133220-86-7 | 2-Chloro-4-fluorocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AA52188
ChemicalName
2-Chloro-4-fluorocinnamic acid
CasNumber
133220-86-7
MolecularFormula
C9H6ClFO2
MolecularWeight
200.59414320000002
MdlNumber
MFCD00236027
Smiles
OC(=O)C=Cc1ccc(cc1Cl)F
Complexity
218
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AA52188
ChemicalName: 2-Chloro-4-fluorocinnamic acid
CasNumber: 133220-86-7
MolecularFormula: C9H6ClFO2
MolecularWeight: 200.59414320000002
MdlNumber: MFCD00236027
Smiles: OC(=O)C=Cc1ccc(cc1Cl)F
Complexity: 218
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA52188
ChemicalName:
2-Chloro-4-fluorocinnamic acid
CasNumber:
133220-86-7
MolecularFormula:
C9H6ClFO2
MolecularWeight:
200.59414320000002
MdlNumber:
MFCD00236027
Smiles:
OC(=O)C=Cc1ccc(cc1Cl)F
Complexity:
218
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCSC(=O)OCOC(=O)C(C)(C)C
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCSC(=O)OCOC(=O)C(C)(C)C
Complexity:
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Smiles: [O-]C(=O)C(c1ccc(c(c1)F)c1ccccc1)C.[O-]C(=O)C(c1ccc(c(c1)F)c1ccccc1)C.[Cu+2]
Complexity: __
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Smiles:
[O-]C(=O)C(c1ccc(c(c1)F)c1ccccc1)C.[O-]C(=O)C(c1ccc(c(c1)F)c1ccccc1)C.[Cu+2]
Complexity:
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Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__