200,000+ products from a single source!
sales@angenechem.com
1301-35-5 | Docosanoic acid, 13,14-dibromo-, calcium salt (2:1)
CAS No: 1301-35-5 Catalog No: AG000U05 MDL No:
Product Description
Catalog Number:
AG000U05
Chemical Name:
Docosanoic acid, 13,14-dibromo-, calcium salt (2:1)
CAS Number:
1301-35-5
Molecular Formula:
C44H82Br4CaO4
Molecular Weight:
1034.8135
IUPAC Name:
calcium;13,14-dibromodocosanoic acid
InChI:
InChI=1S/C22H42Br2O2.Ca/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26;/h20-21H,2-19H2,1H3,(H,25,26);/q;+2
InChI Key:
JLVDYABJSVOBQD-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(CCCCCCCCCCCC(=O)[O-])Br)Br.CCCCCCCCC(C(CCCCCCCCCCCC(=O)[O-])Br)Br.[Ca+2]
EC Number:
215-096-1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.116g/mol
Formal Charge:
2
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
538.462g/mol
Monoisotopic Mass:
536.118g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.