AA85916
163839-73-4 | 2-[4-(Trifluoromethyl)phenoxy]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA85916
ChemicalName
2-[4-(Trifluoromethyl)phenoxy]acetic acid
CasNumber
163839-73-4
MolecularFormula
C9H7F3O3
MolecularWeight
220.1453
MdlNumber
MFCD03094458
Smiles
OC(=O)COc1ccc(cc1)C(F)(F)F
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AA85916
ChemicalName: 2-[4-(Trifluoromethyl)phenoxy]acetic acid
CasNumber: 163839-73-4
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD03094458
Smiles: OC(=O)COc1ccc(cc1)C(F)(F)F
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA85916
ChemicalName:
2-[4-(Trifluoromethyl)phenoxy]acetic acid
CasNumber:
163839-73-4
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD03094458
Smiles:
OC(=O)COc1ccc(cc1)C(F)(F)F
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: AA85917
ChemicalName: 2,2-Dimethyl-4-pentenoic acid
CasNumber: 16386-93-9
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD00012304
Smiles: C=CCC(C(=O)O)(C)C
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AA85917
ChemicalName:
2,2-Dimethyl-4-pentenoic acid
CasNumber:
16386-93-9
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD00012304
Smiles:
C=CCC(C(=O)O)(C)C
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
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Smiles: CN1CCC(=C2c3ccccc3Sc3c2cc(Br)cc3)CC1
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CN1CCC(=C2c3ccccc3Sc3c2cc(Br)cc3)CC1
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Smiles: Clc1cccc(c1N)c1c[nH]cc1Cl
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Smiles:
Clc1cccc(c1N)c1c[nH]cc1Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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