AG01EL78

Name: 2-fluoro-3-(propan-2-yl)benzoic acid
Brand: Angene Chemical
SKU: AG01EL78

1369805-45-7 | 2-fluoro-3-(propan-2-yl)benzoic acid

AG01EL78

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CAS Number	1369805-45-7
Catalog Number	AG01EL78
Chemical Name	2-fluoro-3-(propan-2-yl)benzoic acid
IUPAC Name	2-fluoro-3-propan-2-ylbenzoic acid
InChI	InChI=1S/C10H11FO2/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6H,1-2H3,(H,12,13)
InChI Key	LSPSVPIJTNNZMS-UHFFFAOYSA-N
MDL Number	MFCD30345464
Molecular Formula	C10H11FO2
Molecular Weight	182.1915
SMILES	CC(C1=C(F)C(C(O)=O)=CC=C1)C
Synonyms	SCHEMBL18252849, 2-fluoro-3-(propan-2-yl)benzoic acid, 1369805-45-7,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.194g/mol
Monoisotopic Mass	182.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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