AG019LDU

Name: 4-{[(difluoromethyl)sulfanyl]methyl}benzoic acid
Brand: Angene Chemical
SKU: AG019LDU

1000932-37-5 | 4-{[(difluoromethyl)sulfanyl]methyl}benzoic acid

AG019LDU

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CAS Number	1000932-37-5
Catalog Number	AG019LDU
Chemical Name	4-{[(difluoromethyl)sulfanyl]methyl}benzoic acid
IUPAC Name	4-(difluoromethylsulfanylmethyl)benzoic acid
InChI	InChI=1S/C9H8F2O2S/c10-9(11)14-5-6-1-3-7(4-2-6)8(12)13/h1-4,9H,5H2,(H,12,13)
InChI Key	ZEUCHMOFBNVMSA-UHFFFAOYSA-N
MDL Number	MFCD09863443
Molecular Formula	C9H8F2O2S
Molecular Weight	218.2204
SMILES	OC(C1=CC=C(CSC(F)F)C=C1)=O
Synonyms	4-{[(difluoromethyl)sulfanyl]methyl}benzoic acid, 4-{[(difluoromethyl)thio]methyl}benzoic acid, 1000932-37-5, AC1Q73AQ, CTK7B7683, ZINC20281825, AKOS008105080, MCULE-5171327826, NCGC00341375-01, EN300-30909, AB01332991-02,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.021g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.218g/mol
Monoisotopic Mass	218.021g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.6A^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