AG007M5V

13451-78-0 | 5-Fluorobenzo[D]Oxazole-2-Thiol

AG007M5V

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CAS Number	13451-78-0
Catalog Number	AG007M5V(AGN-PC-0NAQ6U)
Chemical Name	5-Fluorobenzo[D]Oxazole-2-Thiol
IUPAC Name	5-fluoro-3H-1,3-benzoxazole-2-thione
InChI	InChI=1S/C7H4FNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChI Key	UVHVJSJZCPFGET-UHFFFAOYSA-N
MDL Number	MFCD08447021
Molecular Formula	C7H4FNOS
Molecular Weight	169.1762
SMILES	FC1=CC2=C(OC(S)=N2)C=C1
Synonyms	5-Fluorobenzo[d]oxazole-2-thiol, 13451-78-0, 5-FLUOROBENZOXAZOLE-2-THIOL, 2-mercapto-5-fluorobenzoxazole, 5-Fluoro-2-mercaptobenzoxazole, MFCD08447021, 5-Fluoro-3H-1,3-benzoxazole-2-thione, ACMC-1BRC5, SCHEMBL780268, 2-mercapto-5-fluorobenzoxazole;, CTK4B9227, DTXSID70444957, UVHVJSJZCPFGET-UHFFFAOYSA-N, 5-Fluoro-2(3H)-benzoxazolethiene, 5-Fluorobenzoxazole-2(3H)-thione, 5-fluoro-1,3-benzoxazole-2-thiol, ACT08253, KS-00000F5N, 2(3H)-Benzoxazolethione,5-fluoro-, 5-Fluorobenzoxazole-2-thiol, 97%, EBD273723, ZINC91689893, AKOS011654953, AKOS016367918, 5-fluorobenzo[d]oxazole-2(3H)-thione, CS-W005135, DS-5180, MCULE-4675916149, 5-Fluoro-1,3-benzoxazole-2(3H)-thione, AK111312, SY067559, ST2406260, TC-168299, 4CH-017681, Y1592, Z9760, MFCD22556199 (97%), A-8089, 5-fluoro-2,3-dihydro-1,3-benzoxazole-2-thione, J-006547, C7H4FNOS, 5-fluoro-3H-benzooxazole-2-thione, ACN-027394, CID10797208, 5-Fluorobenzoxazole-2-thiol, 97% - 1G 1g,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.173g/mol
Monoisotopic Mass	169g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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