6-Chloro-2,2-dimethyl-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 327026-99-3
Catalog: |
BB021370 |
Product Name: |
6-Chloro-2,2-dimethyl-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
327026-99-3 |
Synonyms: |
6-chloro-2,2-dimethyl-8-nitro-4H-1,4-benzoxazin-3-one; 6-chloro-2,2-dimethyl-8-nitro-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-chloro-2,2-dimethyl-8-nitro-4H-1,4-benzoxazin-3-one |
Description: | 6-Chloro-2,2-dimethyl-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 327026-99-3 ) is a useful research chemical. |
Molecular Weight: | 256.64 |
Molecular Formula: | C10H9ClN2O4 |
Canonical SMILES: | CC1(C(=O)NC2=CC(=CC(=C2O1)[N+](=O)[O-])Cl)C |
InChI: | InChI=1S/C10H9ClN2O4/c1-10(2)9(14)12-6-3-5(11)4-7(13(15)16)8(6)17-10/h3-4H,1-2H3,(H,12,14) |
InChI Key: | AVXRBJYQNZEJFH-UHFFFAOYSA-N |
LogP: | 3.01890 |
Publication Number | Title | Priority Date |
US-2006293313-A1 | New phenylpiperazines | 19990823 |
US-2009143406-A1 | New Phenylpiperazine | 19990823 |
US-7067513-B1 | Phenylpiperazines | 19990823 |
US-7456182-B2 | Phenylpiperazines | 19990823 |
US-7605162-B2 | Phenylpiperazine | 19990823 |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.0250845 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.0250845 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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