AF00780
176689-23-9 | 2-[4-Nitro-3-(trifluoromethyl)phenyl]acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF00780
ChemicalName
2-[4-Nitro-3-(trifluoromethyl)phenyl]acetonitrile
CasNumber
176689-23-9
MolecularFormula
C9H5F3N2O2
MolecularWeight
230.1434
MdlNumber
MFCD13185783
Smiles
N#CCc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Complexity
315
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AF00780
ChemicalName: 2-[4-Nitro-3-(trifluoromethyl)phenyl]acetonitrile
CasNumber: 176689-23-9
MolecularFormula: C9H5F3N2O2
MolecularWeight: 230.1434
MdlNumber: MFCD13185783
Smiles: N#CCc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AF00780
ChemicalName:
2-[4-Nitro-3-(trifluoromethyl)phenyl]acetonitrile
CasNumber:
176689-23-9
MolecularFormula:
C9H5F3N2O2
MolecularWeight:
230.1434
MdlNumber:
MFCD13185783
Smiles:
N#CCc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: AF00781
ChemicalName: 4-(2-Fluorophenyl)-1H-pyrazol-3-amine
CasNumber: 186195-72-2
MolecularFormula: C9H8FN3
MolecularWeight: 177.1783
MdlNumber: MFCD06825381
Smiles: Fc1ccccc1c1c[nH]nc1N
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AF00781
ChemicalName:
4-(2-Fluorophenyl)-1H-pyrazol-3-amine
CasNumber:
186195-72-2
MolecularFormula:
C9H8FN3
MolecularWeight:
177.1783
MdlNumber:
MFCD06825381
Smiles:
Fc1ccccc1c1c[nH]nc1N
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]cnc2c1ccc(c2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]cnc2c1ccc(c2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF00783
ChemicalName: 2-Nitrobenzenesulfinic acid sodium
CasNumber: 15898-45-0
MolecularFormula: C6H5NNaO4S
MolecularWeight: 210.163
MdlNumber: MFCD24113275
Smiles: [O-][N+](=O)c1ccccc1S(=O)O.[Na+]
Complexity: 197
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AF00783
ChemicalName:
2-Nitrobenzenesulfinic acid sodium
CasNumber:
15898-45-0
MolecularFormula:
C6H5NNaO4S
MolecularWeight:
210.163
MdlNumber:
MFCD24113275
Smiles:
[O-][N+](=O)c1ccccc1S(=O)O.[Na+]
Complexity:
197
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
__
Xlogp3:
__