AB44185
2267-23-4 | 2-Nitro-4-(trifluoromethoxy)aniline
Manufacturer: A2B Chem
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CatalogNumber
AB44185
ChemicalName
2-Nitro-4-(trifluoromethoxy)aniline
CasNumber
2267-23-4
MolecularFormula
C7H5F3N2O3
MolecularWeight
222.1214
MdlNumber
MFCD00042326
Smiles
[O-][N+](=O)c1cc(ccc1N)OC(F)(F)F
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AB44185
ChemicalName: 2-Nitro-4-(trifluoromethoxy)aniline
CasNumber: 2267-23-4
MolecularFormula: C7H5F3N2O3
MolecularWeight: 222.1214
MdlNumber: MFCD00042326
Smiles: [O-][N+](=O)c1cc(ccc1N)OC(F)(F)F
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB44185
ChemicalName:
2-Nitro-4-(trifluoromethoxy)aniline
CasNumber:
2267-23-4
MolecularFormula:
C7H5F3N2O3
MolecularWeight:
222.1214
MdlNumber:
MFCD00042326
Smiles:
[O-][N+](=O)c1cc(ccc1N)OC(F)(F)F
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N
Complexity: 169
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)[N+](=O)[O-])N
Complexity:
169
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AB44188
ChemicalName: 2-Nitro-4-methylsulfonylbenzoic acid
CasNumber: 110964-79-9
MolecularFormula: C8H7NO6S
MolecularWeight: 245.2093
MdlNumber: MFCD01941299
Smiles: [O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)C
Complexity: 392
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB44188
ChemicalName:
2-Nitro-4-methylsulfonylbenzoic acid
CasNumber:
110964-79-9
MolecularFormula:
C8H7NO6S
MolecularWeight:
245.2093
MdlNumber:
MFCD01941299
Smiles:
[O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)C
Complexity:
392
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7