AG01ABKE

Name: 4-tert-butyl-3-fluorobenzoic acid
Brand: Angene Chemical
SKU: AG01ABKE

1228155-69-8 | 4-tert-butyl-3-fluorobenzoic acid

AG01ABKE

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WARNING This product is not for human or veterinary use.

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CAS Number	1228155-69-8
Catalog Number	AG01ABKE
Chemical Name	4-tert-butyl-3-fluorobenzoic acid
IUPAC Name	4-tert-butyl-3-fluorobenzoic acid
InChI	InChI=1S/C11H13FO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)
InChI Key	QPCXHNKGIHFBJQ-UHFFFAOYSA-N
MDL Number	MFCD28356756
Molecular Formula	C11H13FO2
Molecular Weight	196.2181
SMILES	C(C)(C)(C)C1=C(C=C(C(=O)O)C=C1)F
Synonyms	4-(tert-butyl)-3-fluorobenzoic acid, 1228155-69-8, SCHEMBL11977452, AKOS024207493, ZINC200824262, F2167-2870, 4-tert-butyl-3-fluorobenzoic acid,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.221g/mol
Monoisotopic Mass	196.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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