4-Bromo-2(3H)-benzoxazolone - CAS 14022-96-9
Catalog: |
BB073969 |
Product Name: |
4-Bromo-2(3H)-benzoxazolone |
CAS: |
14022-96-9 |
Synonyms: |
4-bromo-2,3-dihydro-1,3-benzoxazol-2-one; 4-bromobenzo[d]oxazol-2(3H)-one; 4-bromo-3H-1,3-benzoxazol-2-one; 4-Bromobenzo[d]oxazol-2-ol |
IUPAC Name: | 4-bromo-3H-1,3-benzoxazol-2-one |
Molecular Weight: | 214.02 |
Molecular Formula: | C7H4BrNO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)NC(=O)O2 |
InChI: | InChI=1S/C7H4BrNO2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10) |
InChI Key: | PGXJMHBTSZQHDD-UHFFFAOYSA-N |
References: | Bach, A., et al. J. Med. Chem., 58, 9258-9272 (2015). |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.94254 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.94254 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
-
[147396-07-4]
(E)-1-(Benzo[b] thiophen- 2- yl)ethanone Oxime
-
[6332-13-4]
4-Aminophenyl Ethyl Carbinol
-
[1365727-07-6]
6-Methyldi(ondansetron-3-de(1,2-dimethyl-1H-imidazole))
-
[548777-18-0]
1-(Pent-4-yn-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
-
[1212645-41-4]
(3R,4R)-N-Cyclohexyl-3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]hexahydro-4-hydroxy-1H-azepine-1-carboxamide
-
[24177-07-9]
(2R,5S,10aS,10bS)-Octahydro-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboxylic Acid
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS