2-Amino-6-chloro-3-methylbenzoic Acid - CAS 857005-81-3
Catalog: |
BB037691 |
Product Name: |
2-Amino-6-chloro-3-methylbenzoic Acid |
CAS: |
857005-81-3 |
Synonyms: |
2-amino-6-chloro-3-methylbenzoic acid; 2-amino-6-chloro-3-methylbenzoic acid |
IUPAC Name: | 2-amino-6-chloro-3-methylbenzoic acid |
Description: | 2-Amino-6-chloro-3-methylbenzoic Acid (CAS# 857005-81-3) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CC1=C(C(=C(C=C1)Cl)C(=O)O)N |
InChI: | InChI=1S/C8H8ClNO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
InChI Key: | QIZZHPAEYROYKH-UHFFFAOYSA-N |
LogP: | 2.51000 |
Publication Number | Title | Priority Date |
AU-2017301767-A1 | Compounds and compositions and uses thereof | 20160729 |
CA-3032141-A1 | Compounds and compositions and uses thereof | 20160729 |
EP-3490607-A1 | Compounds and compositions and uses thereof | 20160729 |
JP-2019523279-A | Compounds and compositions and their use | 20160729 |
KR-20190065246-A | Compounds and compositions and uses thereof | 20160729 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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