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141075-33-4 | 1H-Pyrrole-2-carboxylic acid, 3-ethyl-4-fluoro-5-methyl-
CAS No: 141075-33-4 Catalog No: AG001FTI MDL No:
Product Description
Catalog Number:
AG001FTI
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-ethyl-4-fluoro-5-methyl-
CAS Number:
141075-33-4
Molecular Formula:
C8H10FNO2
Molecular Weight:
171.1689
IUPAC Name:
3-ethyl-4-fluoro-5-methyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H10FNO2/c1-3-5-6(9)4(2)10-7(5)8(11)12/h10H,3H2,1-2H3,(H,11,12)
InChI Key:
OFLGZLSLMBFVFF-UHFFFAOYSA-N
SMILES:
CCc1c([nH]c(c1F)C)C(=O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.171g/mol
Monoisotopic Mass:
171.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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