7-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 934993-58-5
Catalog: |
BB040945 |
Product Name: |
7-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
934993-58-5 |
Synonyms: |
7-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one; 7-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 7-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one |
Description: | 7-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 934993-58-5) is a useful research chemical. |
Molecular Weight: | 256.10 |
Molecular Formula: | C10H10BrNO2 |
Canonical SMILES: | CC1(C(=O)NC2=C(O1)C=C(C=C2)Br)C |
InChI: | InChI=1S/C10H10BrNO2/c1-10(2)9(13)12-7-4-3-6(11)5-8(7)14-10/h3-5H,1-2H3,(H,12,13) |
InChI Key: | SZPRSMJCVKHIIX-UHFFFAOYSA-N |
LogP: | 2.69660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021018194-A1 | Heterocyclic compounds as bcr-abl inhibitors | 20190729 |
AU-2015220650-A1 | New phenylazetidine, carboxylate or carboxamide compounds | 20140221 |
CA-2939570-A1 | New phenylazetidine, carboxylate or carboxamide compounds | 20140221 |
EP-3107910-A1 | New phenylazetidine, carboxylate or carboxamide compounds | 20140221 |
JP-2017509609-A | Novel phenylazetidine carboxylate or carboxamide compounds | 20140221 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.98949 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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