Methyl 2-chloro-5-phenylbenzoate - CAS 886969-94-4
Catalog: |
BB075943 |
Product Name: |
Methyl 2-chloro-5-phenylbenzoate |
CAS: |
886969-94-4 |
Synonyms: |
Methyl 2-chloro-5-phenylbenzoate; Methyl 4-chloro-[1,1'-biphenyl]-3-carboxylate; Methyl4-chloro-[1,1'-biphenyl]-3-carboxylate; methyl 4-chlorobiphenyl-3-carboxylate |
IUPAC Name: | methyl 2-chloro-5-phenylbenzoate |
Description: | Methyl 2-chloro-5-phenylbenzoate |
Molecular Weight: | 246.69 |
Molecular Formula: | C14H11ClO2 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)C2=CC=CC=C2)Cl |
InChI: | InChI=1S/C14H11ClO2/c1-17-14(16)12-9-11(7-8-13(12)15)10-5-3-2-4-6-10/h2-9H,1H3 |
InChI Key: | UERIBTLVWAUSAH-UHFFFAOYSA-N |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.0447573 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.0447573 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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