Home Other Building Blocks Ethyl (4-iodo-1H-pyrazol-1-yl)acetate

Ethyl (4-iodo-1H-pyrazol-1-yl)acetate

CAS No.:
82231-59-2
Catalog Number:
AG00ID8F
Molecular Formula:
C7H9IN2O2
Molecular Weight:
280.0630
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Product Description
Catalog Number:
AG00ID8F
Chemical Name:
Ethyl (4-iodo-1H-pyrazol-1-yl)acetate
CAS Number:
82231-59-2
Molecular Formula:
C7H9IN2O2
Molecular Weight:
280.0630
MDL Number:
MFCD11054036
IUPAC Name:
ethyl 2-(4-iodopyrazol-1-yl)acetate
InChI:
InChI=1S/C7H9IN2O2/c1-2-12-7(11)5-10-4-6(8)3-9-10/h3-4H,2,5H2,1H3
InChI Key:
QDCVNLSNYLXDRI-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1cc(cn1)I
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.971g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.065g/mol
Monoisotopic Mass:
279.971g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties