200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 827317-45-3
827317-45-3 | 1H-Indole, 6-methoxy-2-(1H-pyrazol-3-yl)-
CAS No: 827317-45-3 Catalog No: AG004V4R MDL No:
Product Description
Catalog Number:
AG004V4R
Chemical Name:
1H-Indole, 6-methoxy-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-45-3
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
IUPAC Name:
6-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
InChI:
InChI=1S/C12H11N3O/c1-16-9-3-2-8-6-12(14-11(8)7-9)10-4-5-13-15-10/h2-7,14H,1H3,(H,13,15)
InChI Key:
SPCAEVXEMMUWRX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(c2)c1n[nH]cc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.