3-Amino-5-chlorobenzoic Acid - CAS 21961-30-8
Catalog: |
BB017224 |
Product Name: |
3-Amino-5-chlorobenzoic Acid |
CAS: |
21961-30-8 |
Synonyms: |
3-amino-5-chlorobenzoic acid; 3-amino-5-chlorobenzoic acid |
IUPAC Name: | 3-amino-5-chlorobenzoic acid |
Description: | 3-Amino-5-chlorobenzoic Acid (CAS# 21961-30-8) is a useful research chemical. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | C1=C(C=C(C=C1N)Cl)C(=O)O |
InChI: | InChI=1S/C7H6ClNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H,10,11) |
InChI Key: | ATFAXWNNFCBZNY-UHFFFAOYSA-N |
Boiling Point: | 383.251 ℃ at 760 mmHg |
Density: | 1.477 g/cm3 |
LogP: | 2.20160 |
Publication Number | Title | Priority Date |
WO-2020172324-A1 | Nurr1 receptor modulators | 20190219 |
US-2020148634-A1 | Acly inhibitors and uses thereof | 20181109 |
WO-2020097408-A1 | Acly inhibitors and uses thereof | 20181109 |
CN-110092743-A | Benzamide compound and preparation method thereof, purposes and pharmaceutical composition | 20180130 |
WO-2019149223-A1 | Benzamide compound and preparation method, use, and pharmaceutical composition thereof | 20180130 |
PMID | Publication Date | Title | Journal |
19231864 | 20090326 | Potent non-benzoquinone ansamycin heat shock protein 90 inhibitors from genetic engineering of Streptomyces hygroscopicus | Journal of medicinal chemistry |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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