200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 171297-03-3
171297-03-3 | Benzaldehyde, 4-[(4-nitrophenyl)ethynyl]-
CAS No: 171297-03-3 Catalog No: AG0077QY MDL No:
Product Description
Catalog Number:
AG0077QY
Chemical Name:
Benzaldehyde, 4-[(4-nitrophenyl)ethynyl]-
CAS Number:
171297-03-3
Molecular Formula:
C15H9NO3
Molecular Weight:
251.2369
IUPAC Name:
4-[2-(4-nitrophenyl)ethynyl]benzaldehyde
InChI:
InChI=1S/C15H9NO3/c17-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)16(18)19/h3-11H
InChI Key:
OBPVXJVFAMDMDQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C#Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.241g/mol
Monoisotopic Mass:
251.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.