2-Bromo-10H-phenothiazine - CAS 66820-95-9
Catalog: |
BB073997 |
Product Name: |
2-Bromo-10H-phenothiazine |
CAS: |
66820-95-9 |
Synonyms: |
2-Bromo-10H-phenothiazine; 2-bromophenothiazine |
IUPAC Name: | 2-bromo-10H-phenothiazine |
Molecular Weight: | 278.17 |
Molecular Formula: | C12H8BrNS |
Canonical SMILES: | C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)Br |
InChI: | InChI=1S/C12H8BrNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H |
InChI Key: | SXBVYXOFICMKHD-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.95608 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.95608 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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