200,000+ products from a single source!
sales@angenechem.com
499771-17-4 | 2-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,3-THIAZOL-2-YL]ACETONITRILE
CAS No: 499771-17-4 Catalog No: AG00DCOH MDL No:MFCD01765461
Product Description
Catalog Number:
AG00DCOH
Chemical Name:
2-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,3-THIAZOL-2-YL]ACETONITRILE
CAS Number:
499771-17-4
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
MDL Number:
MFCD01765461
IUPAC Name:
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetonitrile
InChI:
InChI=1S/C13H10N2O2S/c14-4-3-13-15-10(8-18-13)9-1-2-11-12(7-9)17-6-5-16-11/h1-2,7-8H,3,5-6H2
InChI Key:
CFGMGRLIFAVVMY-UHFFFAOYSA-N
SMILES:
N#CCc1scc(n1)c1ccc2c(c1)OCCO2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.