Home Other Building Blocks 4-FLUORO-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER

4-FLUORO-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER

CAS No.:
100818-58-4
Catalog Number:
AG01DUWN
Molecular Formula:
C9H12FNO2
Molecular Weight:
185.1955
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Product Description
Catalog Number:
AG01DUWN
Chemical Name:
4-FLUORO-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
CAS Number:
100818-58-4
Molecular Formula:
C9H12FNO2
Molecular Weight:
185.1955
MDL Number:
MFCD16657819
IUPAC Name:
ethyl 4-fluoro-3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C9H12FNO2/c1-4-13-9(12)8-5(2)7(10)6(3)11-8/h11H,4H2,1-3H3
InChI Key:
JUUPDDQIQYJTOH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1C)F)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.198g/mol
Monoisotopic Mass:
185.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties