AG006WU6

Name: 4-[(Difluoromethyl)thio]benzoic acid
Brand: Angene Chemical
SKU: AG006WU6

4837-26-7 | 4-[(Difluoromethyl)thio]benzoic acid

AG006WU6

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CAS Number	4837-26-7
Catalog Number	AG006WU6(AGN-PC-00MROL)
Chemical Name	4-[(Difluoromethyl)thio]benzoic acid
IUPAC Name	4-(difluoromethylsulfanyl)benzoic acid
InChI	InChI=1S/C8H6F2O2S/c9-8(10)13-6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)
InChI Key	ZZJSQHYCIPFNKN-UHFFFAOYSA-N
MDL Number	MFCD09040401
Molecular Formula	C8H6F2O2S
Molecular Weight	204.1938
SMILES	O=C(O)C1=CC=C(SC(F)F)C=C1
Synonyms	4837-26-7, 4-[(difluoromethyl)thio]benzoic acid, 4-[(difluoromethyl)sulfanyl]benzoic acid, 4-((Difluoromethyl)thio)benzoic acid, Benzoic acid, 4-[(difluoromethyl)thio]-, AC1Q73H5, SCHEMBL2283560, CTK4J0785, DTXSID50542021, ZZJSQHYCIPFNKN-UHFFFAOYSA-N, 4-(difluoromethylthio)benzoic acid, ZINC8983758, AKOS009116123, MCULE-7472660975, NE25244, EN300-26752, Z234855796,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.006g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.191g/mol
Monoisotopic Mass	204.006g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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