2-Amino-4-chloro-3-methylbenzoic Acid - CAS 98968-68-4
Catalog: |
BB074944 |
Product Name: |
2-Amino-4-chloro-3-methylbenzoic Acid |
CAS: |
98968-68-4 |
Synonyms: |
2-amino-4-chloro-3-methylbenzoic acid; Benzoic acid, 2-amino-4-chloro-3-methyl-; AE-646/12709136 |
IUPAC Name: | 2-amino-4-chloro-3-methylbenzoic acid |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1N)C(=O)O)Cl |
InChI: | InChI=1S/C8H8ClNO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
InChI Key: | UJRYLIKAXUSWFS-UHFFFAOYSA-N |
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: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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