200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89807-63-6
89807-63-6 | 2-Propen-1-one, 3-[4-(1,1-dimethylethyl)phenyl]-1-(4-nitrophenyl)-
CAS No: 89807-63-6 Catalog No: AG003Y9Y MDL No:
Product Description
Catalog Number:
AG003Y9Y
Chemical Name:
2-Propen-1-one, 3-[4-(1,1-dimethylethyl)phenyl]-1-(4-nitrophenyl)-
CAS Number:
89807-63-6
Molecular Formula:
C19H19NO3
Molecular Weight:
309.3591
IUPAC Name:
3-(4-tert-butylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C19H19NO3/c1-19(2,3)16-9-4-14(5-10-16)6-13-18(21)15-7-11-17(12-8-15)20(22)23/h4-13H,1-3H3
InChI Key:
PYDCLHKJDJWDKG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C=Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.365g/mol
Monoisotopic Mass:
309.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.