AA17223
116965-16-3 | 3-Nitro-4-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA17223
ChemicalName
3-Nitro-4-(trifluoromethyl)benzoic acid
CasNumber
116965-16-3
MolecularFormula
C8H4F3NO4
MolecularWeight
235.1169
MdlNumber
MFCD00274359
Smiles
[O-][N+](=O)c1cc(ccc1C(F)(F)F)C(=O)O
Complexity
299
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AA17223
ChemicalName: 3-Nitro-4-(trifluoromethyl)benzoic acid
CasNumber: 116965-16-3
MolecularFormula: C8H4F3NO4
MolecularWeight: 235.1169
MdlNumber: MFCD00274359
Smiles: [O-][N+](=O)c1cc(ccc1C(F)(F)F)C(=O)O
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AA17223
ChemicalName:
3-Nitro-4-(trifluoromethyl)benzoic acid
CasNumber:
116965-16-3
MolecularFormula:
C8H4F3NO4
MolecularWeight:
235.1169
MdlNumber:
MFCD00274359
Smiles:
[O-][N+](=O)c1cc(ccc1C(F)(F)F)C(=O)O
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: N#Cc1cccc(c1C#N)Oc1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1cccc(c1C#N)Oc1ccc(cc1)C
Complexity:
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HydrogenBondAcceptorCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: COc1c(Cl)ccc(c1F)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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MolecularFormula:
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Smiles:
COc1c(Cl)ccc(c1F)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: __
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MolecularFormula: __
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Smiles: CCCCCC(C(=O)O)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
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:
CCCCCC(C(=O)O)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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