AC18755
847547-06-2 | 5-Nitro-2-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC18755
ChemicalName
5-Nitro-2-(trifluoromethyl)benzoic acid
CasNumber
847547-06-2
MolecularFormula
C8H4F3NO4
MolecularWeight
235.1169
MdlNumber
MFCD13185777
Smiles
OC(=O)c1cc(ccc1C(F)(F)F)[N+](=O)[O-]
Complexity
299
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AC18755
ChemicalName: 5-Nitro-2-(trifluoromethyl)benzoic acid
CasNumber: 847547-06-2
MolecularFormula: C8H4F3NO4
MolecularWeight: 235.1169
MdlNumber: MFCD13185777
Smiles: OC(=O)c1cc(ccc1C(F)(F)F)[N+](=O)[O-]
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AC18755
ChemicalName:
5-Nitro-2-(trifluoromethyl)benzoic acid
CasNumber:
847547-06-2
MolecularFormula:
C8H4F3NO4
MolecularWeight:
235.1169
MdlNumber:
MFCD13185777
Smiles:
OC(=O)c1cc(ccc1C(F)(F)F)[N+](=O)[O-]
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(cc1C)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
O=Cc1ccc(cc1C)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc(c(c1F)C)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCc1ccc(c(c1F)C)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1C)N1CCCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1C)N1CCCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__