AA36100
1261782-84-6 | 5-Nitro-3-(4-trifluoromethoxyphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36100
ChemicalName
5-Nitro-3-(4-trifluoromethoxyphenyl)benzoic acid
CasNumber
1261782-84-6
MolecularFormula
C14H8F3NO5
MolecularWeight
327.2122
MdlNumber
MFCD18322454
Smiles
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccc(cc1)OC(F)(F)F
Complexity
443
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.1
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CatalogNumber: AA36100
ChemicalName: 5-Nitro-3-(4-trifluoromethoxyphenyl)benzoic acid
CasNumber: 1261782-84-6
MolecularFormula: C14H8F3NO5
MolecularWeight: 327.2122
MdlNumber: MFCD18322454
Smiles: OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccc(cc1)OC(F)(F)F
Complexity: 443
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.1
CatalogNumber:
AA36100
ChemicalName:
5-Nitro-3-(4-trifluoromethoxyphenyl)benzoic acid
CasNumber:
1261782-84-6
MolecularFormula:
C14H8F3NO5
MolecularWeight:
327.2122
MdlNumber:
MFCD18322454
Smiles:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccc(cc1)OC(F)(F)F
Complexity:
443
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.1
CatalogNumber: __
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Smiles: COC(=O)c1ccc(nc1)c1ccccc1OC(F)(F)F
Complexity: __
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HeavyAtomCount: __
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RotatableBondCount: __
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Smiles:
COC(=O)c1ccc(nc1)c1ccccc1OC(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Nc1cncc(c1)c1ccc(cc1)OC(F)(F)F
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Smiles:
Nc1cncc(c1)c1ccc(cc1)OC(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)Cc1cc(I)ccc1C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1cc(I)ccc1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__