200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 59513-89-2
59513-89-2 | 4-Isocyanatobenzyl cyanide
CAS No: 59513-89-2 Catalog No: AG003LL6 MDL No:MFCD03701598
Product Description
Catalog Number:
AG003LL6
Chemical Name:
4-Isocyanatobenzyl cyanide
CAS Number:
59513-89-2
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD03701598
IUPAC Name:
2-(4-isocyanatophenyl)acetonitrile
InChI:
InChI=1S/C9H6N2O/c10-6-5-8-1-3-9(4-2-8)11-7-12/h1-4H,5H2
InChI Key:
DFMDTDBDIAZYNT-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)N=C=O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.