Methyl 2-(2-bromophenyl)-2-cyanoacetate - CAS 1218951-02-0
Catalog: |
BB059822 |
Product Name: |
Methyl 2-(2-bromophenyl)-2-cyanoacetate |
CAS: |
1218951-02-0 |
Synonyms: |
Methyl 2-(2-bromophenyl)-2-cyanoacetate; Methyl2-(2-bromophenyl)-2-cyanoacetate |
IUPAC Name: | methyl 2-(2-bromophenyl)-2-cyanoacetate |
Description: | Methyl 2-(2-bromophenyl)-2-cyanoacetate |
Molecular Weight: | 254.08 |
Molecular Formula: | C10H8BrNO2 |
Canonical SMILES: | COC(=O)C(C#N)C1=CC=CC=C1Br |
InChI: | InChI=1S/C10H8BrNO2/c1-14-10(13)8(6-12)7-4-2-3-5-9(7)11/h2-5,8H,1H3 |
InChI Key: | CQSZFJOPDKIIBG-UHFFFAOYSA-N |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.97384 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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