200,000+ products from a single source!
sales@angenechem.com
79759-41-4 | 1,3-DIHYDRO-5-CHLORO-3-PHENYL-1-(2-PROPYNYL)-2H-BENZO[D]IMIDAZOL-2-ONE
CAS No: 79759-41-4 Catalog No: AG0056AE MDL No:
Product Description
Catalog Number:
AG0056AE
Chemical Name:
1,3-DIHYDRO-5-CHLORO-3-PHENYL-1-(2-PROPYNYL)-2H-BENZO[D]IMIDAZOL-2-ONE
CAS Number:
79759-41-4
Molecular Formula:
C16H11ClN2O
Molecular Weight:
282.7243
IUPAC Name:
5-chloro-3-phenyl-1-prop-2-ynylbenzimidazol-2-one
InChI:
InChI=1S/C16H11ClN2O/c1-2-10-18-14-9-8-12(17)11-15(14)19(16(18)20)13-6-4-3-5-7-13/h1,3-9,11H,10H2
InChI Key:
RVVPNBKZSAIEDU-UHFFFAOYSA-N
SMILES:
C#CCn1c(=O)n(c2c1ccc(c2)Cl)c1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.727g/mol
Monoisotopic Mass:
282.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^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.