200,000+ products from a single source!
sales@angenechem.com
827316-64-3 | 1H-Indole-4-carboxylic acid, 2-(1H-pyrazol-3-yl)-, ethyl ester
CAS No: 827316-64-3 Catalog No: AG00501R MDL No:
Product Description
Catalog Number:
AG00501R
Chemical Name:
1H-Indole-4-carboxylic acid, 2-(1H-pyrazol-3-yl)-, ethyl ester
CAS Number:
827316-64-3
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
ethyl 2-(1H-pyrazol-5-yl)-1H-indole-4-carboxylate
InChI:
InChI=1S/C14H13N3O2/c1-2-19-14(18)9-4-3-5-11-10(9)8-13(16-11)12-6-7-15-17-12/h3-8,16H,2H2,1H3,(H,15,17)
InChI Key:
BYCCPXLZWVCVOX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1cc([nH]2)c1n[nH]cc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.