AI51435
509142-74-9 | 2-(4-Bromo-2-(trifluoromethoxy)phenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI51435
ChemicalName
2-(4-Bromo-2-(trifluoromethoxy)phenyl)acetic acid
CasNumber
509142-74-9
MolecularFormula
C9H6BrF3O3
MolecularWeight
299.0413
MdlNumber
MFCD12761595
Smiles
OC(=O)Cc1ccc(cc1OC(F)(F)F)Br
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.3
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CatalogNumber: AI51435
ChemicalName: 2-(4-Bromo-2-(trifluoromethoxy)phenyl)acetic acid
CasNumber: 509142-74-9
MolecularFormula: C9H6BrF3O3
MolecularWeight: 299.0413
MdlNumber: MFCD12761595
Smiles: OC(=O)Cc1ccc(cc1OC(F)(F)F)Br
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AI51435
ChemicalName:
2-(4-Bromo-2-(trifluoromethoxy)phenyl)acetic acid
CasNumber:
509142-74-9
MolecularFormula:
C9H6BrF3O3
MolecularWeight:
299.0413
MdlNumber:
MFCD12761595
Smiles:
OC(=O)Cc1ccc(cc1OC(F)(F)F)Br
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.3
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Smiles: Brc1noc(c1B1OC(C(O1)(C)C)(C)C)c1ccccc1
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
Brc1noc(c1B1OC(C(O1)(C)C)(C)C)c1ccccc1
Complexity:
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Smiles: O=C(C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)Cl)Cl
Complexity: __
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Smiles:
O=C(C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)Cl)Cl
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: CCn1nc(c(c1C)[N+](=O)[O-])C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
CCn1nc(c(c1C)[N+](=O)[O-])C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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