AG0007PA

1025509-81-2 | Benzene, 2-fluoro-4-(methylthio)-1-nitro-

AG0007PA

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CAS Number	1025509-81-2
Catalog Number	AG0007PA(AGN-PC-0CS7GI)
Chemical Name	Benzene, 2-fluoro-4-(methylthio)-1-nitro-
IUPAC Name	2-fluoro-4-methylsulfanyl-1-nitrobenzene
InChI	InChI=1S/C7H6FNO2S/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key	PXQUZZSEHGFNQU-UHFFFAOYSA-N
MDL Number	MFCD18070982
Molecular Formula	C7H6FNO2S
Molecular Weight	187.1914
SMILES	N(=O)(=O)c1c(F)cc(cc1)SC
Synonyms	2-Fluoro-4-methylthio-1-nitrobenzene, 1025509-81-2, SCHEMBL13497808, CTK8E1748, KS-00000ENB, 5553AJ, MFCD18070982, ZINC90556928, AKOS024257796, FCH1176799, TRA0099719, AK187205, AS-32107, SY010986, DB-058826, TC-307102, Benzene, 2-fluoro-4-(methylthio)-1-nitro-, FT-0717497, Z-4097, C7H6FNO2S, 887974-19-8,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.01g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.188g/mol
Monoisotopic Mass	187.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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