| CAS Number | 19044-75-8 |
| Catalog Number | AG01AIQV(AGN-PC-00NZ7U) |
| Chemical Name | 4-Chloro-2-methyl-5-nitrophenol |
| IUPAC Name | 4-chloro-2-methyl-5-nitrophenol |
| InChI | InChI=1S/C7H6ClNO3/c1-4-2-5(8)6(9(11)12)3-7(4)10/h2-3,10H,1H3 |
| InChI Key | MODINVZWKNCELC-UHFFFAOYSA-N |
| MDL Number | MFCD19381874 |
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.5804 |
| SMILES | CC1=C(O)C=C([N+]([O-])=O)C(Cl)=C1 |
| Synonyms | 4-chloro-2-methyl-5-nitrophenol,
19044-75-8,
4-Chloro-2-methyl-5-nitro-phenol,
SCHEMBL2837571,
MODINVZWKNCELC-UHFFFAOYSA-N,
ZINC34154968,
AKOS027296542,
MCULE-4958002843,
NE37432,
EN300-78808,
Z1259040927,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.579g/mol |
| Monoisotopic Mass | 187.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number