AB65428
328-80-3 | 3-Nitro-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65428
ChemicalName
3-Nitro-5-(trifluoromethyl)benzoic acid
CasNumber
328-80-3
MolecularFormula
C8H4F3NO4
MolecularWeight
235.1168696
MdlNumber
MFCD00024509
Smiles
OC(=O)c1cc(cc(c1)C(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: AB65428
ChemicalName: 3-Nitro-5-(trifluoromethyl)benzoic acid
CasNumber: 328-80-3
MolecularFormula: C8H4F3NO4
MolecularWeight: 235.1168696
MdlNumber: MFCD00024509
Smiles: OC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB65428
ChemicalName:
3-Nitro-5-(trifluoromethyl)benzoic acid
CasNumber:
328-80-3
MolecularFormula:
C8H4F3NO4
MolecularWeight:
235.1168696
MdlNumber:
MFCD00024509
Smiles:
OC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: AB65429
ChemicalName: 3-Nitro-5-(trifluoromethyl)phenol
CasNumber: 349-57-5
MolecularFormula: C7H4F3NO3
MolecularWeight: 207.1068
MdlNumber: MFCD04973779
Smiles: Oc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AB65429
ChemicalName:
3-Nitro-5-(trifluoromethyl)phenol
CasNumber:
349-57-5
MolecularFormula:
C7H4F3NO3
MolecularWeight:
207.1068
MdlNumber:
MFCD04973779
Smiles:
Oc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1nc(OCC[Si](C)(C)C)ccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1nc(OCC[Si](C)(C)C)ccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65431
ChemicalName: 3-Nitro-7-azaindole
CasNumber: 23709-47-9
MolecularFormula: C7H5N3O2
MolecularWeight: 163.1335
MdlNumber: MFCD08272225
Smiles: [O-][N+](=O)c1c[nH]c2c1cccn2
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AB65431
ChemicalName:
3-Nitro-7-azaindole
CasNumber:
23709-47-9
MolecularFormula:
C7H5N3O2
MolecularWeight:
163.1335
MdlNumber:
MFCD08272225
Smiles:
[O-][N+](=O)c1c[nH]c2c1cccn2
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.1