200,000+ products from a single source!
sales@angenechem.com
250592-92-8 | Isoxazole, 3-[3-bromo-2-methyl-6-(methylthio)phenyl]-4,5-dihydro-
CAS No: 250592-92-8 Catalog No: AG002QAI MDL No:
Product Description
Catalog Number:
AG002QAI
Chemical Name:
Isoxazole, 3-[3-bromo-2-methyl-6-(methylthio)phenyl]-4,5-dihydro-
CAS Number:
250592-92-8
Molecular Formula:
C11H12BrNOS
Molecular Weight:
286.1881
IUPAC Name:
3-(3-bromo-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C11H12BrNOS/c1-7-8(12)3-4-10(15-2)11(7)9-5-6-14-13-9/h3-4H,5-6H2,1-2H3
InChI Key:
BJKHEGMQFCIUHE-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1C1=NOCC1)C)Br
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.187g/mol
Monoisotopic Mass:
284.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.