Home Carboxys 4-Chloro-1h-pyrazole-3-carboxylic acid ethyl ester

4-Chloro-1h-pyrazole-3-carboxylic acid ethyl ester

CAS No.:
1189363-78-7
Catalog Number:
AG0096YT
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$230
- +
1g
95%
1 week
United States
$517
- +
Product Description
Catalog Number:
AG0096YT
Chemical Name:
4-Chloro-1h-pyrazole-3-carboxylic acid ethyl ester
CAS Number:
1189363-78-7
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD23378482
IUPAC Name:
ethyl 4-chloro-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C6H7ClN2O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2H2,1H3,(H,8,9)
InChI Key:
IEARPPYKRNLUBY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)cn[nH]1
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties