4-(Bromomethyl)-α-methyl-benzeneacetic Acid Methyl Ester - CAS 99807-54-2
Catalog: |
BB070815 |
Product Name: |
4-(Bromomethyl)-α-methyl-benzeneacetic Acid Methyl Ester |
CAS: |
99807-54-2 |
Synonyms: |
Methyl 2-[4-(bromomethyl)phenyl]propanoate; 2-(4-BROMOMETHYLPHENYL)PROPIONIC ACID METHYL ESTER; methyl 2-(4-(bromomethyl)phenyl)propanoate; Methyl 2-(4-bromomethylphenyl)propanoate; methyl 2-(4-bromomethylphenyl)propionate; Methyl=2-[4-(bromomethyl)phenyl]propanoate |
IUPAC Name: | methyl 2-[4-(bromomethyl)phenyl]propanoate |
Molecular Weight: | 257.12 |
Molecular Formula: | C11H13BrO2 |
Canonical SMILES: | CC(C1=CC=C(C=C1)CBr)C(=O)OC |
InChI: | InChI=1S/C11H13BrO2/c1-8(11(13)14-2)10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3 |
InChI Key: | OXFCILAOEGBINA-UHFFFAOYSA-N |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.00989 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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