4-Nitro-o-xylene
C₈H₉NO₂·151.160 g/mol·CID 7440
IUPAC: 1,2-dimethyl-4-nitrobenzene
Also known as: 1,2-DIMETHYL-4-NITROBENZENE, 99-51-4, p-Nitro-o-xylene, o-Xylene, 4-nitro-, 3,4-Dimethyl-1-nitrobenzene (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
151.160g/mol
Exact Mass
151.063329Da
Monoisotopic Mass
151.063329Da
XLogP
2.9
Polar Surface Area
45.8Ų
Complexity
153
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
11
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 151.2 g/mol
MW ≤ 500
✓ 2.9
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH312Harmful in contact with skinH332Harmful if inhaled
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₈H₉NO₂
N-(4-hydroxyphenyl)acetamide
CID 1983 · 151.2 g/mol
methyl 2-aminobenzoate
CID 8635 · 151.2 g/mol
N-(3-hydroxyphenyl)acetamide
CID 12124 · 151.2 g/mol
N-(2-hydroxyphenyl)acetamide
CID 11972 · 151.2 g/mol
ethyl pyridine-3-carboxylate
CID 69188 · 151.2 g/mol
4-(aminomethyl)benzoic acid
CID 65526 · 151.2 g/mol
3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6808 · 151.2 g/mol
4-methoxybenzamide
CID 76959 · 151.2 g/mol