200,000+ products from a single source!
sales@angenechem.com
148682-12-6 | Benzonitrile, 4-[(1Z)-1-chloro-3-oxo-1-propen-1-yl]-
CAS No: 148682-12-6 Catalog No: AG001L3R MDL No:
Product Description
Catalog Number:
AG001L3R
Chemical Name:
Benzonitrile, 4-[(1Z)-1-chloro-3-oxo-1-propen-1-yl]-
CAS Number:
148682-12-6
Molecular Formula:
C10H6ClNO
Molecular Weight:
191.6137
IUPAC Name:
4-(1-chloro-3-oxoprop-1-enyl)benzonitrile
InChI:
InChI=1S/C10H6ClNO/c11-10(5-6-13)9-3-1-8(7-12)2-4-9/h1-6H
InChI Key:
LSLWZASXPAZZBJ-UHFFFAOYSA-N
SMILES:
O=C/C=C(/c1ccc(cc1)C#N)\Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.614g/mol
Monoisotopic Mass:
191.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.