| CAS Number | 76464-50-1 |
| Catalog Number | AG008Q7P(AGN-PC-0WD0W3) |
| Chemical Name | 1-Chloro-4-nitro-2-propoxybenzene |
| IUPAC Name | 1-chloro-4-nitro-2-propoxybenzene |
| InChI | InChI=1S/C9H10ClNO3/c1-2-5-14-9-6-7(11(12)13)3-4-8(9)10/h3-4,6H,2,5H2,1H3 |
| InChI Key | KPMHBSITSXZPAX-UHFFFAOYSA-N |
| MDL Number | MFCD21333106 |
| Molecular Formula | C9H10ClNO3 |
| Molecular Weight | 215.6336 |
| SMILES | [O-][N+](=O)c1cc(OCCC)c(cc1)Cl |
| Synonyms | 1-Chloro-4-nitro-2-propoxybenzene,
76464-50-1,
ACMC-209p3j,
4-chloro-3-propoxynitrobenzene,
SCHEMBL1663340,
CTK8B2293,
DTXSID00512214,
KPMHBSITSXZPAX-UHFFFAOYSA-N,
1-Chloro-4-nitro-2-propoxy-benzene,
ANW-36797,
MFCD21333106,
ZINC39329495,
AKOS016001061,
AJ-99885,
TC-125542,
ST24021296,
V7664,
B-8425,
C9H10ClNO3,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.633g/mol |
| Monoisotopic Mass | 215.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number