200,000+ products from a single source!
sales@angenechem.com
1314002-49-7 | 1H-Pyrazole, 1-[4-(1,1-dimethylethyl)phenyl]-5-iodo-
CAS No: 1314002-49-7 Catalog No: AG000W47 MDL No:
Product Description
Catalog Number:
AG000W47
Chemical Name:
1H-Pyrazole, 1-[4-(1,1-dimethylethyl)phenyl]-5-iodo-
CAS Number:
1314002-49-7
Molecular Formula:
C13H15IN2
Molecular Weight:
326.1761
IUPAC Name:
1-(4-tert-butylphenyl)-5-iodopyrazole
InChI:
InChI=1S/C13H15IN2/c1-13(2,3)10-4-6-11(7-5-10)16-12(14)8-9-15-16/h4-9H,1-3H3
InChI Key:
AULKCRCMAGSOFQ-UHFFFAOYSA-N
SMILES:
Ic1ccnn1c1ccc(cc1)C(C)(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.181g/mol
Monoisotopic Mass:
326.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.