200,000+ products from a single source!
sales@angenechem.com
866931-90-0 | Benzoic acid, 2-fluoro-5-[hexyl[[4-(phenylethynyl)phenyl]methyl]amino]-
CAS No: 866931-90-0 Catalog No: AG004TCI MDL No:
Product Description
Catalog Number:
AG004TCI
Chemical Name:
Benzoic acid, 2-fluoro-5-[hexyl[[4-(phenylethynyl)phenyl]methyl]amino]-
CAS Number:
866931-90-0
Molecular Formula:
C28H28FNO2
Molecular Weight:
429.5258
IUPAC Name:
2-fluoro-5-[hexyl-[[4-(2-phenylethynyl)phenyl]methyl]amino]benzoic acid
InChI:
InChI=1S/C28H28FNO2/c1-2-3-4-8-19-30(25-17-18-27(29)26(20-25)28(31)32)21-24-15-13-23(14-16-24)12-11-22-9-6-5-7-10-22/h5-7,9-10,13-18,20H,2-4,8,19,21H2,1H3,(H,31,32)
InChI Key:
JCFPIPOYDYAGBH-UHFFFAOYSA-N
SMILES:
CCCCCCN(c1ccc(c(c1)C(=O)O)F)Cc1ccc(cc1)C#Cc1ccccc1
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.21g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.535g/mol
Monoisotopic Mass:
429.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.