AG000XS5

Name: 3-Butoxy-4-chlorobenzoic acid
Brand: Angene Chemical
SKU: AG000XS5

1280786-97-1 | 3-Butoxy-4-chlorobenzoic acid

AG000XS5

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CAS Number	1280786-97-1
Catalog Number	AG000XS5(AGN-PC-09PZ86)
Chemical Name	3-Butoxy-4-chlorobenzoic acid
IUPAC Name	3-butoxy-4-chlorobenzoic acid
InChI	InChI=1S/C11H13ClO3/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key	VRKIJXYNWBDRJJ-UHFFFAOYSA-N
MDL Number	MFCD18434437
Molecular Formula	C11H13ClO3
Molecular Weight	228.6721
SMILES	CCCCOc1cc(ccc1Cl)C(=O)O
Synonyms	3-BUTOXY-4-CHLOROBENZOIC ACID, 1280786-97-1, ACMC-209bek, SCHEMBL17740328, CTK8A9993, DTXSID60681854, Benzoic acid, 3-butoxy-4-chloro-, 5404AA, ANW-19050, MFCD18434437, ZINC65337052, AKOS015888558, AJ-114982, AX8243428, TC-107795, A-3562, I01-11410, 3-Butoxy-4-chlorobenzoicacid, C11H13ClO3,

Complexity	208
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	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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