3-Bromomethyl-1-chloro-4-(4-methoxy-2-nitrophenoxy)benzene - CAS 1215782-19-6
Catalog: |
BB072082 |
Product Name: |
3-Bromomethyl-1-chloro-4-(4-methoxy-2-nitrophenoxy)benzene |
CAS: |
1215782-19-6 |
Synonyms: |
3-BROMOMETHYL-1-CHLORO-4-(4-METHOXY-2-NITROPHENOXY)BENZENE; 1-[2-(bromomethyl)-4-chlorophenoxy]-4-methoxy-2-nitrobenzene |
IUPAC Name: | 1-[2-(bromomethyl)-4-chlorophenoxy]-4-methoxy-2-nitrobenzene |
Description: | Intermediate in the production of Loxapine derivatives |
Molecular Weight: | 372.6 |
Molecular Formula: | C14H11BrClNO4 |
Canonical SMILES: | COC1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)CBr)[N+](=O)[O-] |
InChI: | InChI=1S/C14H11BrClNO4/c1-20-11-3-5-14(12(7-11)17(18)19)21-13-4-2-10(16)6-9(13)8-15/h2-7H,8H2,1H3 |
InChI Key: | XEHBDGRCBZNSCK-UHFFFAOYSA-N |
Solubility: | Chloroform, Ethyl Acetate, Methanol, |
Appearance: | Yellow Solid |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 370.956 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 370.956 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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