| CAS Number | 79035-13-5 |
| Catalog Number | AG005NAG(AGN-PC-0NEXZY) |
| Chemical Name | Benzene, 1-chloro-2-nitro-4-(phenylmethoxy)- |
| IUPAC Name | 1-chloro-2-nitro-4-phenylmethoxybenzene |
| InChI | InChI=1S/C13H10ClNO3/c14-12-7-6-11(8-13(12)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | KVBJIVDDLMDAPB-UHFFFAOYSA-N |
| MDL Number | MFCD29043644 |
| Molecular Formula | C13H10ClNO3 |
| Molecular Weight | 263.6764 |
| SMILES | O=[N+](C1=CC(OCC2=CC=CC=C2)=CC=C1Cl)[O-] |
| Synonyms | 79035-13-5,
4-(benzyloxy)-1-chloro-2-nitrobenzene,
5-benzyloxy-2-chloro-nitrobenzene,
Benzene, 1-chloro-2-nitro-4-(phenylmethoxy)-,
1-chloro-2-nitro-4-phenylmethoxybenzene,
SCHEMBL810842,
CTK2F9603,
DTXSID80453136,
4-benzyloxy-2-nitro-chlorobenzene,
KVBJIVDDLMDAPB-UHFFFAOYSA-N,
4-Benzyloxy-1-chloro-2-nitro-benzene,
ZINC114637138,
CID11043622,
1-chloro-2-nitro-4-phenylmethoxy-benzene,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.677g/mol |
| Monoisotopic Mass | 263.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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