200,000+ products from a single source!
sales@angenechem.com
833484-88-1 | Benzoic acid, 4-[[4-bromo-2-(1-oxobutyl)phenoxy]methyl]-
CAS No: 833484-88-1 Catalog No: AG004SD1 MDL No:
Product Description
Catalog Number:
AG004SD1
Chemical Name:
Benzoic acid, 4-[[4-bromo-2-(1-oxobutyl)phenoxy]methyl]-
CAS Number:
833484-88-1
Molecular Formula:
C18H17BrO4
Molecular Weight:
377.2292
IUPAC Name:
4-[(4-bromo-2-butanoylphenoxy)methyl]benzoic acid
InChI:
InChI=1S/C18H17BrO4/c1-2-3-16(20)15-10-14(19)8-9-17(15)23-11-12-4-6-13(7-5-12)18(21)22/h4-10H,2-3,11H2,1H3,(H,21,22)
InChI Key:
PXKZOQNGNBWXKA-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc(Br)ccc1OCc1ccc(cc1)C(=O)O
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.031g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.234g/mol
Monoisotopic Mass:
376.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.