4-fluoro-1-methyl-5-carboxylic acid

4-fluoro-1-methyl-5-carboxylic acid
Compound Structure:
Synonyms: 4-Fluoro-1-methyl-5-carboxylic acid, ethyl(ester);SCHEMBL22697032;Ethyl 4-fluoro-1-methyl-1H-imidazole-5-carboxylate
Compound ID: NMPC-410
PubChem ID:

534521
Molecular Formula: C7H9FN2O2
Canonical SMILES: CCOC(=O)C1=C(N=CN1C)F
InChIKey: ZFWMYLNYZBGJEO-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

172.16 g/mol

XLogP3-AA

1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

3

Exact Mass

172.06480570 g/mol

Monoisotopic Mass

172.06480570 g/mol

Topological Polar Surface Area

44.1Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

177

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Source: PubChem                                                         
Source Species: Strychnos innocua
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