AG0036NH

99389-26-1 | BENZENETHIOL, 3,5-DIFLUORO-

AG0036NH

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CAS Number	99389-26-1
Catalog Number	AG0036NH(AGN-PC-0KKMGC)
Chemical Name	BENZENETHIOL, 3,5-DIFLUORO-
IUPAC Name	3,5-difluorobenzenethiol
InChI	InChI=1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChI Key	LFYVNHDFVIPZHV-UHFFFAOYSA-N
MDL Number	MFCD06201795
Molecular Formula	C6H4F2S
Molecular Weight	146.1578
SMILES	Fc1cc(F)cc(c1)S
Synonyms	3,5-difluorobenzenethiol, 3,5-Difluorothiophenol, 99389-26-1, BENZENETHIOL, 3,5-DIFLUORO-, 3,5-Difluoro Thiophenol, 3,5-difluorobenzene-1-thiol, 3,5-DIFLUORO-BENZENETHIOL, PubChem6884, AC1MBXZC, 1,3-Difluoro-5-thiobenzene, SCHEMBL458103, 3,5-bis(fluoranyl)benzenethiol, CTK5I0379, DTXSID40374297, LFYVNHDFVIPZHV-UHFFFAOYSA-N, 3,5-difluorothiophenol, AldrichCPR, ZINC4255444, ZX-AP003677, BBL103584, FCH921166, PC5677, SBB086487, STL557394, AKOS005256319, CS-W023131, KS-000002A4, AK142981, AN-34503, PS-11927, SC-43857, AB0019786, TL8006790, FT-0735208, ST24041232, V0288, X-4543, A846015, C6H4F2S, Benzenethiol, 3,5-difluoro- (9CI), CID2758361, 17368-12-6,

Complexity	87.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.155g/mol
Monoisotopic Mass	146g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P210-P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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