7138-34-3
Product Name:
4-Chloromandelic acid
Formula:
C8H7ClO3
Synonyms:
4-Chloro-α-hydroxyphenylacetic acid;4-Chloro-DL -mandelic acid
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CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 135.63 Ų [M-H]- |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 186.59 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 186.0083718 g/mol |
| Monoisotopic Mass | 186.0083718 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 164 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |