Structure
|
|
Relationships |
Total Number of functionally related protein(s) :
5
Total Number of Articles : 3
|
PubChem |
8491
|
Molecular Formula |
C7H6ClNO2 |
SMILES |
CC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
InChI |
InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3 |
synonyms |
- 2-CHLORO-4-NITROTOLUENE
- 2-Chloro-1-methyl-4-nitrobenzene
- Benzene, 2-chloro-1-methyl-4-nitro-
- Toluene, 2-chloro-4-nitro-
- o-Chloro-p-nitrotoluol
- 3-Chloro-4-methylnitrobenzene
- 2,4-Chloronitrotoluene
- 2-Chlor-4-nitrotoluen
- 2-Chloro-4-nitro-1-methylbenzene
- 2-Chloro-4-nitrotoluen
- HSDB 5592
- 2-Chloro-4-nitrotoluen [Czech]
- 4-Nitro-2-chlorotoluene
- EINECS 204-501-7
- UNII-9T26LNR6T8
- NSC 60111
- BRN 1817924
- 9T26LNR6T8
- DTXSID3026984
- o-chloro-p-nitrotoluene
- NSC-60111
- Benzene, 1-chloro-2-methyl-5-nitro-
- 2-chloro-4-nitrophenylmethane
- DTXCID406984
- CHEBI:142283
- EC 204-501-7
- 4-05-00-00855 (Beilstein Handbook Reference)
- 2-CHLORO-4-NITROTOLUENE [HSDB]
- 1-CHLORO-2-METHYL-5-NITROBENZENE
- 3-CHLORO-4-METHYL-1-NITROBENZENE
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|
Properties |
Property |
Value |
MW |
171.58 g/mol |
HBD |
0 |
HBA |
2 |
Rotatable Bond Count |
0 |
Exact Mass |
171.0087061 g/mol |
Monoisotopic Mass |
171.0087061 g/mol |
Heavy Atom Count |
11 |
Isotope Atom Count |
0 |
Atom Stereo Count |
0 |
Covalent Unit Count |
1 |
Complexity |
157 |
xlogp |
3.4 |
Topological Polar Surface Area |
45.8 |
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