AG00C0ZQ

402-11-9 | 3-Chloro-4-nitrobenzotrifluoride

AG00C0ZQ

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CAS Number	402-11-9
Catalog Number	AG00C0ZQ(AGN-PC-0JPOJ7)
Chemical Name	3-Chloro-4-nitrobenzotrifluoride
EC Number	206-936-8
IUPAC Name	2-chloro-1-nitro-4-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3ClF3NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChI Key	CZWWSPDHNLAYRJ-UHFFFAOYSA-N
MDL Number	MFCD00272564
Molecular Formula	C7H3ClF3NO2
Molecular Weight	225.5524
SMILES	FC(C1=CC=C([N+]([O-])=O)C(Cl)=C1)(F)F
Synonyms	3-Chloro-4-nitrobenzotrifluoride, 402-11-9, 2-Chloro-1-nitro-4-(trifluoromethyl)benzene, MFCD00272564, Benzene, 2-chloro-1-nitro-4-(trifluoromethyl)-, 2-Chloro-4-(trifluoromethyl)nitrobenzene, AK-35047, 402-11-9 3-chloro-4-nitrobenzotrifluoride, EINECS 206-936-8, PubChem4853, ACMC-209jbx, AC1Q5ASQ, AC1L4V2P, SCHEMBL6080, KSC582M6H, 3-Nitro-4-Chlorbenzotrifluorid, CTK4I2663, DTXSID70193190, CZWWSPDHNLAYRJ-UHFFFAOYSA-N, WT420, ACT00867, ZINC2564418, ZX-AP003781, ACM402119, ANW-29323, BBL100462, PC8117, SBB064790, STL554256, WT2177, AKOS005254456, AS05923, CM13231, FCH1322615, MCULE-3782895459, RP27605, RTR-032763, KS-000010E3, AJ-41029, BR-35047, PS-10523, SC-04264, U071, 2-Chloro-4-trifluoromethyl-1-nitrobenzene, AB0019083, AX8020665, ST2404297, 2-chloro-3-nitro-6-(trifluoromethyl)benzene, 4CH-017855, FT-0615426, ST50827715, TL80074059, 2-NITRO-5-TRIFLUOROMETHYLCHLOROBENZENE, B-3182, Benzene,2-chloro-1-nitro-4-(trifluoromethyl)-, 402C119, I01-5853, J-512248, 2-Chloro-1-nitro-4-(trifluoromethyl)benzene, AldrichCPR, C7H3ClF3NO2, C7-H3-Cl-F3-N-O2, AR-1E0060, CID164594, ZINC02564418, 53103-58-5,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.98g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.551g/mol
Monoisotopic Mass	224.98g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H301-H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number