5-Bromo-1-Naphthaleneacetic Acid Methyl Ester - CAS 14311-35-4
Catalog: |
BB072040 |
Product Name: |
5-Bromo-1-Naphthaleneacetic Acid Methyl Ester |
CAS: |
14311-35-4 |
Synonyms: |
Methyl 2-(5-bromonaphthalen-1-yl)acetate; 5-BroMo-1-Naphthaleneacetic Acid Methyl Ester; Methyl 5-bromonaphthalene-1-acetate; Methyl2-(5-bromonaphthalen-1-yl)acetate |
IUPAC Name: | methyl 2-(5-bromonaphthalen-1-yl)acetate |
Molecular Weight: | 279.13 |
Molecular Formula: | C13H11BrO2 |
Canonical SMILES: | COC(=O)CC1=C2C=CC=C(C2=CC=C1)Br |
InChI: | InChI=1S/C13H11BrO2/c1-16-13(15)8-9-4-2-6-11-10(9)5-3-7-12(11)14/h2-7H,8H2,1H3 |
InChI Key: | LQSUXOMSRWNKMC-UHFFFAOYSA-N |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.99424 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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