AG00BFDH

22227-59-4 | 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid

AG00BFDH

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CAS Number	22227-59-4
Catalog Number	AG00BFDH(AGN-PC-0WAMSJ)
Chemical Name	2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid
IUPAC Name	2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H3ClF3NO4/c9-6-4(7(14)15)1-3(8(10,11)12)2-5(6)13(16)17/h1-2H,(H,14,15)
InChI Key	PSRPKTROFCUEOD-UHFFFAOYSA-N
MDL Number	MFCD11847295
Molecular Formula	C8H3ClF3NO4
Molecular Weight	269.5619
SMILES	O=C(O)C1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1Cl
Synonyms	2-chloro-3-nitro-5-(trifluoromethyl)benzoic Acid, 22227-59-4, 2-CHLORO-3-NITRO-5-TRIFLUOROMETHYLBENZOIC ACID, AK-86143, 2-Chloro-3-nitro-5-trifluoromethyl-benzoic acid, PubChem23459, SCHEMBL1202928, CTK8B4836, DTXSID40435413, PSRPKTROFCUEOD-UHFFFAOYSA-N, ACT09284, KS-00000P7S, ANW-46471, BBL103430, MFCD11847295, STL557240, ZINC66055144, AKOS015998643, AS06634, CS-W005717, PC51195, AS-18211, DA-18343, SC-14450, SY035123, AB0005774, AJ-115767, AX8218761, ST2409796, TC-135216, 4CH-010946, FT-0696122, W4582, MFCD11847295 (95%), X-2956, C8H3ClF3NO4, ACN-001846, CID10084457, 2-Chloro-3-nitro-5-(trifluoromethyl)benzoicacid, Benzoic acid, 2-chloro-3-nitro-5-(trifluoromethyl)-,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.97g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.56g/mol
Monoisotopic Mass	268.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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