200,000+ products from a single source!
sales@angenechem.com
129560-00-5 | 1H-Pyrazole-5-carbonyl chloride, 4-chloro-3-ethyl-1-methyl-
CAS No: 129560-00-5 Catalog No: AG000Z7Z MDL No:
Product Description
Catalog Number:
AG000Z7Z
Chemical Name:
1H-Pyrazole-5-carbonyl chloride, 4-chloro-3-ethyl-1-methyl-
CAS Number:
129560-00-5
Molecular Formula:
C7H8Cl2N2O
Molecular Weight:
207.0572
IUPAC Name:
4-chloro-5-ethyl-2-methylpyrazole-3-carbonyl chloride
InChI:
InChI=1S/C7H8Cl2N2O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3
InChI Key:
JDTKMFFTJSSMPR-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1Cl)C(=O)Cl)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.054g/mol
Monoisotopic Mass:
206.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| (Z)-Ethyl 3-[bis-(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl-carbon-yl)amino]-3-(4-chloro-phen-yl)-2-cyano-propanoate. | Acta crystallographica. Section E, Structure reports online 20090401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.