5-Chloro-7-nitrobenzoxazol-2(3H)-one - CAS 811810-67-0
Catalog: |
BB036621 |
Product Name: |
5-Chloro-7-nitrobenzoxazol-2(3H)-one |
CAS: |
811810-67-0 |
Synonyms: |
5-chloro-7-nitro-3H-1,3-benzoxazol-2-one; 5-chloro-7-nitro-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 5-chloro-7-nitro-3H-1,3-benzoxazol-2-one |
Description: | 5-Chloro-7-nitrobenzoxazol-2(3H)-one (CAS# 811810-67-0) is used as an antipsychotic compound. |
Molecular Weight: | 214.56 |
Molecular Formula: | C7H3ClN2O4 |
Canonical SMILES: | C1=C(C=C2C(=C1[N+](=O)[O-])OC(=O)N2)Cl |
InChI: | InChI=1S/C7H3ClN2O4/c8-3-1-4-6(14-7(11)9-4)5(2-3)10(12)13/h1-2H,(H,9,11) |
InChI Key: | CRZGVTHVMCEWRC-UHFFFAOYSA-N |
Density: | 1.704 g/cm3 |
MDL: | MFCD09753602 |
LogP: | 2.20590 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2377850-A1 | TRPV1 vanilloid receptor antagonists with a bicyclic portion | 20100330 |
EP-2552888-A1 | "trpv1 vanilloid receptor antagonists with a bicyclic portion" | 20100330 |
EP-2552888-B1 | Trpv1 vanilloid receptor antagonists with a bicyclic portion | 20100330 |
US-10233177-B2 | TRPV1 vanilloid receptor antagonists with a bicyclic portion | 20100330 |
US-2013079339-A1 | Trpv1 vanilloid receptor antagonists with a bicyclic portion | 20100330 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.9781343 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.9781343 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Benzoxazole/Benzothiazole
Customers Also Viewed
-
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
-
[92-06-8]
m-Terphenyl
-
[87117-22-4]
1,4-Bis(2-ethylhexyl)benzene
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
-
[1118-71-4]
2,2,6,6-Tetramethyl-3,5-heptanedione
-
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
INDUSTRY LEADERS TRUST OUR PRODUCTS