Home Halogens 2-Thiophenecarboxylic acid, 5-chloro-4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester

2-Thiophenecarboxylic acid, 5-chloro-4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester

CAS No.:
1047630-52-3
Catalog Number:
AG008TL5
Molecular Formula:
C10H9ClN2O2S
Molecular Weight:
256.7087
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Product Description
Catalog Number:
AG008TL5
Chemical Name:
2-Thiophenecarboxylic acid, 5-chloro-4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester
CAS Number:
1047630-52-3
Molecular Formula:
C10H9ClN2O2S
Molecular Weight:
256.7087
MDL Number:
MFCD28359276
IUPAC Name:
methyl 5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxylate
InChI:
InChI=1S/C10H9ClN2O2S/c1-13-7(3-4-12-13)6-5-8(10(14)15-2)16-9(6)11/h3-5H,1-2H3
InChI Key:
VPJXOKQAAZAQNP-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1)c1ccnn1C)Cl
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.704g/mol
Monoisotopic Mass:
256.007g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties