| CAS Number | 69422-57-7 |
| Catalog Number | AG01AI9K(AGN-PC-0JP8WX) |
| Chemical Name | 1-Chloro-2-(chloromethyl)-4-nitrobenzene |
| IUPAC Name | 1-chloro-2-(chloromethyl)-4-nitrobenzene |
| InChI | InChI=1S/C7H5Cl2NO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2 |
| InChI Key | HORIWLYGDAZMKL-UHFFFAOYSA-N |
| MDL Number | MFCD12025223 |
| Molecular Formula | C7H5Cl2NO2 |
| Molecular Weight | 206.0261 |
| NSC Number | 145030 |
| SMILES | ClC1=C(C=C(C=C1)[N+](=O)[O-])CCl |
| Synonyms | 1-chloro-2-(chloromethyl)-4-nitrobenzene,
69422-57-7,
2-chloro-5-nitrobenzyl chloride,
NSC145030,
AC1L65HT,
AC1Q3U7Y,
SCHEMBL863249,
2-chloro-5-nitrobenzylchloride,
CTK5C9801,
DTXSID10301631,
HORIWLYGDAZMKL-UHFFFAOYSA-N,
4-nitro-2-chloromethylchlorobenzene,
ZINC1728167,
AKOS013456465,
NSC-145030,
EN300-77118,
AR-1C2239,
CID286563,
6955-66-4,
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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 | 204.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.022g/mol |
| Monoisotopic Mass | 204.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number