AG0039Z7

103889-37-8 | 1-chloro-3-fluoro-2-(trifluoromethyl)benzene

AG0039Z7

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CAS Number	103889-37-8
Catalog Number	AG0039Z7(AGN-PC-0158SE)
Chemical Name	1-chloro-3-fluoro-2-(trifluoromethyl)benzene
IUPAC Name	1-chloro-3-fluoro-2-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3ClF4/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChI Key	ILUCOEVDXAZECW-UHFFFAOYSA-N
MDL Number	MFCD03412198
Molecular Formula	C7H3ClF4
Molecular Weight	198.5453
SMILES	ClC1=C(C(=CC=C1)F)C(F)(F)F
Synonyms	2-Chloro-6-fluorobenzotrifluoride, 103889-37-8, 1-chloro-3-fluoro-2-(trifluoromethyl)benzene, 1-Chloro-3-fluoro-2-trifluoromethyl-benzene, Benzene, 1-chloro-3-fluoro-2-(trifluoromethyl)-, MFCD03412198, 3-chloro-1-fluoro-2-(trifluoromethyl)benzene, PubChem4848, SCHEMBL936662, CTK7C2170, DTXSID60587761, ILUCOEVDXAZECW-UHFFFAOYSA-N, ZINC2529875, ZX-AP000628, FCH921005, PC4269, SBB092362, 2-Chloro-6-Fluorobenzotrifluoride 98, AKOS006346226, AC-4125, AM61723, AS01743, CM13222, AJ-38454, AK135869, AN-12320, AS-33176, AX8073357, FT-0659212, 2-Chloro-alpha,alpha,alpha,6-tetrafluorotoluene, K-0398, A800838, 1-chloranyl-3-fluoranyl-2-(trifluoromethyl)benzene, I01-4566, Benzene,1-chloro-3-fluoro-2-(trifluoromethyl)-,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.986g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.545g/mol
Monoisotopic Mass	197.986g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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