200,000+ products from a single source!
sales@angenechem.com
88174-62-3 | 2-Cyclohexen-1-one, 5-(2,6-dibromo-4-methylphenyl)-3-hydroxy-
CAS No: 88174-62-3 Catalog No: AG004CIY MDL No:
Product Description
Catalog Number:
AG004CIY
Chemical Name:
2-Cyclohexen-1-one, 5-(2,6-dibromo-4-methylphenyl)-3-hydroxy-
CAS Number:
88174-62-3
Molecular Formula:
C13H12Br2O2
Molecular Weight:
360.0412
IUPAC Name:
5-(2,6-dibromo-4-methylphenyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C13H12Br2O2/c1-7-2-11(14)13(12(15)3-7)8-4-9(16)6-10(17)5-8/h2-3,6,8,16H,4-5H2,1H3
InChI Key:
MLUNUCOPYRTPRJ-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1c(Br)cc(cc1Br)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.918g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.045g/mol
Monoisotopic Mass:
357.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.