| CAS Number | 101513-60-4 |
| Catalog Number | AG0004P8(AGN-PC-0KZ4T5) |
| Chemical Name | 2-chloro-N-methyl-5-nitroaniline |
| IUPAC Name | 2-chloro-N-methyl-5-nitroaniline |
| InChI | InChI=1S/C7H7ClN2O2/c1-9-7-4-5(10(11)12)2-3-6(7)8/h2-4,9H,1H3 |
| InChI Key | COAVDUBTKDZPLC-UHFFFAOYSA-N |
| MDL Number | MFCD00962813 |
| Molecular Formula | C7H7ClN2O2 |
| Molecular Weight | 186.5957 |
| SMILES | CNC1=C(Cl)C=CC([N+]([O-])=O)=C1 |
| Synonyms | 2-chloro-N-methyl-5-nitroaniline,
101513-60-4,
Benzenamine, 2-chloro-N-methyl-5-nitro-,
(2-chloro-5-nitro-phenyl)-methyl-amine,
AC1MWAAF,
ACMC-20m4k8,
SCHEMBL4361693,
CTK0G8148,
DTXSID20395506,
COAVDUBTKDZPLC-UHFFFAOYSA-N,
N-Methyl-2-chloro-5-nitroaniline,
ZINC5353753,
STL367695,
2-chloro-N-methyl-5-nitrobenzenamine,
AKOS000447129,
MCULE-7537712761,
SC-54012,
J-509149,
2-chloro-N-methyl-5-nitro-aniline,
CID3720923,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.595g/mol |
| Monoisotopic Mass | 186.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number