200,000+ products from a single source!
sales@angenechem.com
90210-52-9 | Isoquinoline, 3-(phenylmethyl)-, 2-oxide
CAS No: 90210-52-9 Catalog No: AG006J1D MDL No:
Product Description
Catalog Number:
AG006J1D
Chemical Name:
Isoquinoline, 3-(phenylmethyl)-, 2-oxide
CAS Number:
90210-52-9
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
3-benzyl-2-oxidoisoquinolin-2-ium
InChI:
InChI=1S/C16H13NO/c18-17-12-15-9-5-4-8-14(15)11-16(17)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2
InChI Key:
VWKZTXLDIHVDPD-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc2ccccc2cc1Cc1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.