6-Bromo-4-butyl-2H-1,4-benzoxazin-3-one - CAS 1373233-46-5
Catalog: |
BB071465 |
Product Name: |
6-Bromo-4-butyl-2H-1,4-benzoxazin-3-one |
CAS: |
1373233-46-5 |
Synonyms: |
6-Bromo-4-butyl-2H-1,4-benzoxazin-3-one; 6-bromo-4-butyl-1,4-benzoxazin-3-one; 6-Bromo-4-butyl-2H-1,4-benzoxazin-3(4H)-one |
IUPAC Name: | 6-bromo-4-butyl-1,4-benzoxazin-3-one |
Description: | 6-Bromo-4-butyl-2H-1,4-benzoxazin-3-one |
Molecular Weight: | 284.15 |
Molecular Formula: | C12H14BrNO2 |
Canonical SMILES: | CCCCN1C(=O)COC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C12H14BrNO2/c1-2-3-6-14-10-7-9(13)4-5-11(10)16-8-12(14)15/h4-5,7H,2-3,6,8H2,1H3 |
InChI Key: | QTQAROGFSJPAQC-UHFFFAOYSA-N |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.02079 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.02079 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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