200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 645418-21-9
645418-21-9 | 1H-Pyrazole, 3-(4-methoxyphenyl)-5-methyl-4-nitroso-
CAS No: 645418-21-9 Catalog No: AG00H5RU MDL No:
Product Description
Catalog Number:
AG00H5RU
Chemical Name:
1H-Pyrazole, 3-(4-methoxyphenyl)-5-methyl-4-nitroso-
CAS Number:
645418-21-9
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
3-(4-methoxyphenyl)-5-methyl-4-nitroso-1H-pyrazole
InChI:
InChI=1S/C11H11N3O2/c1-7-10(14-15)11(13-12-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,12,13)
InChI Key:
SYEVCIFXSZGKCJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]c(c1N=O)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.