2-Chloro-5-(3-formylphenyl)benzoic acid - CAS 1261983-94-1
Catalog: |
BB062415 |
Product Name: |
2-Chloro-5-(3-formylphenyl)benzoic acid |
CAS: |
1261983-94-1 |
Synonyms: |
2-CHLORO-5-(3-FORMYLPHENYL)BENZOIC ACID;2-CHLORO-5-(3-FORMYLPHENYL)BENZOICACID |
IUPAC Name: | 2-chloro-5-(3-formylphenyl)benzoic acid |
Description: | 2-Chloro-5-(3-formylphenyl)benzoic acid |
Molecular Weight: | 260.67 |
Molecular Formula: | C14H9ClO3 |
Canonical SMILES: | C1=CC(=CC(=C1)C2=CC(=C(C=C2)Cl)C(=O)O)C=O |
InChI: | InChI=1S/C14H9ClO3/c15-13-5-4-11(7-12(13)14(17)18)10-3-1-2-9(6-10)8-16/h1-8H,(H,17,18) |
InChI Key: | IADQEJMDRPXFOK-UHFFFAOYSA-N |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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