4-Chloro-3-(3,4-methylenedioxyphenyl)benzoic acid - CAS 1181596-03-1
Catalog: |
BB069345 |
Product Name: |
4-Chloro-3-(3,4-methylenedioxyphenyl)benzoic acid |
CAS: |
1181596-03-1 |
Synonyms: |
3-(1,3-Benzodioxol-5-yl)-4-chloro-benzoic Acid |
IUPAC Name: | 3-(1,3-benzodioxol-5-yl)-4-chlorobenzoic acid |
Description: | 4-Chloro-3-(3,4-methylenedioxyphenyl)benzoic acid |
Molecular Weight: | 276.67 |
Molecular Formula: | C14H9ClO4 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(=O)O)Cl |
InChI: | InChI=1S/C14H9ClO4/c15-11-3-1-9(14(16)17)5-10(11)8-2-4-12-13(6-8)19-7-18-12/h1-6H,7H2,(H,16,17) |
InChI Key: | NTLUFPJEGYDILE-UHFFFAOYSA-N |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.0189365 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.0189365 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
-
Catalog: BB016397
1-methyl-3-(1,3-thiazol-2-yl)-1H-pyrazole-5-carbaldehyde
Detail
-
Catalog: BB012925
6-(Dimethylamino)-2-naphthaldehyde
Detail
-
Catalog: BB014781
1,4-Benzodioxane-6-carbonitrile
Detail
-
Catalog: BB016437
2-amino-3-{pyrrolo[2,1-f][1,2,4]triazin-5-yl}propanenitrile
Detail
-
Catalog: BB002009
Ethylenesulfate
Detail
-
Catalog: BB012200
8-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-chromen-4-one
Detail
-
Catalog: BB014333
[2-(trifluoromethyl)oxan-4-yl]methanamine
Detail
-
Catalog: BB016398
4-chloro-6-methylimidazo[2,1-f][1,2,4]triazine
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS