Home Carboxys ethyl 5-amino-1-phenylpyrazole-3-carboxylate

ethyl 5-amino-1-phenylpyrazole-3-carboxylate

CAS No.:
866837-96-9
Catalog Number:
AG004KLH
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$267
- +
Product Description
Catalog Number:
AG004KLH
Chemical Name:
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CAS Number:
866837-96-9
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD07388406
IUPAC Name:
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
InChI:
InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-11(13)15(14-10)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChI Key:
SRDSLLHGDLOTGF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)N)c1ccccc1
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties