3,7-Dibromochromone - CAS 1159978-70-7
Catalog: |
BB003678 |
Product Name: |
3,7-Dibromochromone |
CAS: |
1159978-70-7 |
Synonyms: |
3,7-dibromochromen-4-one |
IUPAC Name: | 3,7-dibromochromen-4-one |
Description: | 3,7-Dibromochromone (CAS# 1159978-70-7) is a useful research chemical. |
Molecular Weight: | 303.93 |
Molecular Formula: | C9H4Br2O2 |
Canonical SMILES: | C1=CC2=C(C=C1Br)OC=C(C2=O)Br |
InChI: | InChI=1S/C9H4Br2O2/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-4H |
InChI Key: | VRJRKKZNBPQORR-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 3.31800 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.85576 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.85780 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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