2-[4-(Carboxymethyl)phenyl]-2,2-difluoroacetic Acid - CAS 1436389-36-4
Catalog: |
BB009635 |
Product Name: |
2-[4-(Carboxymethyl)phenyl]-2,2-difluoroacetic Acid |
CAS: |
1436389-36-4 |
Synonyms: |
2-[4-(carboxymethyl)phenyl]-2,2-difluoroacetic acid; 2-[4-(carboxymethyl)phenyl]-2,2-difluoroacetic acid |
IUPAC Name: | 2-[4-(carboxymethyl)phenyl]-2,2-difluoroacetic acid |
Description: | 2-[4-(Carboxymethyl)phenyl]-2,2-difluoroacetic Acid (CAS# 1436389-36-4 ) is a useful research chemical. |
Molecular Weight: | 230.16 |
Molecular Formula: | C10H8F2O4 |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)C(C(=O)O)(F)F |
InChI: | InChI=1S/C10H8F2O4/c11-10(12,9(15)16)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)(H,15,16) |
InChI Key: | XEKFWNJTVZUVJL-UHFFFAOYSA-N |
LogP: | 1.49010 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.03906506 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.03906506 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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