AG01DSSA

Name: 5-Chloro-2-isobutoxybenzoic acid
Brand: Angene Chemical
SKU: AG01DSSA

62176-17-4 | 5-Chloro-2-isobutoxybenzoic acid

AG01DSSA

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CAS Number	62176-17-4
Catalog Number	AG01DSSA(AGN-PC-0KWIK4)
Chemical Name	5-Chloro-2-isobutoxybenzoic acid
IUPAC Name	5-chloro-2-(2-methylpropoxy)benzoic acid
InChI	InChI=1S/C11H13ClO3/c1-7(2)6-15-10-4-3-8(12)5-9(10)11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key	ZNDALCPDRGWIFO-UHFFFAOYSA-N
MDL Number	MFCD02729238
Molecular Formula	C11H13ClO3
Molecular Weight	228.6721
SMILES	CC(COC1=C(C(O)=O)C=C(Cl)C=C1)C
Synonyms	2-iso-Butoxy-5-chlorobenzoic acid, 62176-17-4, 5-Chloro-2-isobutoxybenzoic acid, Benzoic acid, 5-chloro-2-(2-methylpropoxy)-, AC1MSOFQ, 5-chloro-2-(2-methylpropoxy)benzoic Acid, CTK2C5622, DTXSID40393660, ZINC2584146, AKOS005292502, MCULE-1967099634, A1-04838, CID3562499,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.055g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.672g/mol
Monoisotopic Mass	228.055g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited