(6-Amino-2,3-difluorophenyl)acetic acid - CAS 887585-05-9
Catalog: |
BB075000 |
Product Name: |
(6-Amino-2,3-difluorophenyl)acetic acid |
CAS: |
887585-05-9 |
Synonyms: |
(6-AMINO-2,3-DIFLUOROPHENYL)ACETIC ACID; 2-(6-AMINO-2,3-DIFLUOROPHENYL)ACETIC ACID; 6-Amino-2,3-difluorobenzeneacetic acid |
IUPAC Name: | 2-(6-amino-2,3-difluorophenyl)acetic acid |
Description: | (6-Amino-2,3-difluorophenyl)acetic acid |
Molecular Weight: | 187.14 |
Molecular Formula: | C8H7F2NO2 |
Canonical SMILES: | C1=CC(=C(C(=C1N)CC(=O)O)F)F |
InChI: | InChI=1S/C8H7F2NO2/c9-5-1-2-6(11)4(8(5)10)3-7(12)13/h1-2H,3,11H2,(H,12,13) |
InChI Key: | NOFDHMCJUZZSIV-UHFFFAOYSA-N |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.04448479 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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