200,000+ products from a single source!
sales@angenechem.com
114485-99-3 | Phenol, 5-chloro-2-(1H-pyrazol-3-yl)-
CAS No: 114485-99-3 Catalog No: AG000EIJ MDL No:
Product Description
Catalog Number:
AG000EIJ
Chemical Name:
Phenol, 5-chloro-2-(1H-pyrazol-3-yl)-
CAS Number:
114485-99-3
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
IUPAC Name:
5-chloro-2-(1H-pyrazol-5-yl)phenol
InChI:
InChI=1S/C9H7ClN2O/c10-6-1-2-7(9(13)5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChI Key:
AIYKZADXHCJVCC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)O)c1n[nH]cc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.