AF00779
163808-13-7 | 4-Nitro-1,3-benzoxazole
Manufacturer: A2B Chem
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CatalogNumber
AF00779
ChemicalName
4-Nitro-1,3-benzoxazole
CasNumber
163808-13-7
MolecularFormula
C7H4N2O3
MolecularWeight
164.1183
MdlNumber
MFCD00965006
Smiles
[O-][N+](=O)c1cccc2c1nco2
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
Xlogp3
1.6
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CatalogNumber: AF00779
ChemicalName: 4-Nitro-1,3-benzoxazole
CasNumber: 163808-13-7
MolecularFormula: C7H4N2O3
MolecularWeight: 164.1183
MdlNumber: MFCD00965006
Smiles: [O-][N+](=O)c1cccc2c1nco2
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
Xlogp3: 1.6
CatalogNumber:
AF00779
ChemicalName:
4-Nitro-1,3-benzoxazole
CasNumber:
163808-13-7
MolecularFormula:
C7H4N2O3
MolecularWeight:
164.1183
MdlNumber:
MFCD00965006
Smiles:
[O-][N+](=O)c1cccc2c1nco2
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
Xlogp3:
1.6
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
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
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
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
Xlogp3:
1.6
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Smiles: O=c1[nH]cnc2c1ccc(c2)C(F)(F)F
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Smiles:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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