2-Chloro-6-[(cyclopropylcarbonyl)amino]benzoic Acid - CAS 1314406-53-5
Catalog: |
BB007339 |
Product Name: |
2-Chloro-6-[(cyclopropylcarbonyl)amino]benzoic Acid |
CAS: |
1314406-53-5 |
Synonyms: |
2-chloro-6-[[cyclopropyl(oxo)methyl]amino]benzoic acid; 2-chloro-6-(cyclopropanecarbonylamino)benzoic acid |
IUPAC Name: | 2-chloro-6-(cyclopropanecarbonylamino)benzoic acid |
Description: | 2-Chloro-6-[(cyclopropylcarbonyl)amino]benzoic Acid (CAS# 1314406-53-5 ) is a useful research chemical. |
Molecular Weight: | 239.66 |
Molecular Formula: | C11H10ClNO3 |
Canonical SMILES: | C1CC1C(=O)NC2=C(C(=CC=C2)Cl)C(=O)O |
InChI: | InChI=1S/C11H10ClNO3/c12-7-2-1-3-8(9(7)11(15)16)13-10(14)6-4-5-6/h1-3,6H,4-5H2,(H,13,14)(H,15,16) |
InChI Key: | WJMMUJYVKAYTEQ-UHFFFAOYSA-N |
LogP: | 3.03620 |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0349209 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0349209 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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