AG00AAZF

151504-80-2 | 2-Chloro-4-nitrobenzotrifluoride

AG00AAZF

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CAS Number	151504-80-2
Catalog Number	AG00AAZF(AGN-PC-0KKZ9I)
Chemical Name	2-Chloro-4-nitrobenzotrifluoride
IUPAC Name	2-chloro-4-nitro-1-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3ClF3NO2/c8-6-3-4(12(13)14)1-2-5(6)7(9,10)11/h1-3H
InChI Key	MOTWHSMEZCFDOD-UHFFFAOYSA-N
MDL Number	MFCD00171532
Molecular Formula	C7H3ClF3NO2
Molecular Weight	225.5524
SMILES	FC(C1=CC=C([N+]([O-])=O)C=C1Cl)(F)F
Synonyms	2-Chloro-4-nitrobenzotrifluoride, 151504-80-2, 2-chloro-4-nitro-1-(trifluoromethyl)benzene, Benzene, 2-chloro-4-nitro-1-(trifluoromethyl)-, MFCD00171532, AK-77228, 2-Chloro-4-nitro-1-trifluoromethylbenzene, PubChem4852, AC1MCUIE, Intermediates-ZCF02158, SCHEMBL3630624, CTK8B4473, DTXSID00381220, MOTWHSMEZCFDOD-UHFFFAOYSA-N, KS-00000MY7, ZINC2555648, ZX-AP001773, ANW-45162, PC0322, SBB064778, AKOS015890297, AM62315, CC-1738, CS-W006360, FCH1322838, MCULE-4215307690, QC-7505, RTR-006219, 3-Chloro-4-trifluoromethyl-nitrobenzene, AC-28591, AJ-39808, AK-34498, BR-34498, DS-17017, SC-01288, 3-Chloro-4-trifluoromethyl-1-nitrobenzene, AB0022444, AX8004070, AX8073040, ST2404327, TL8001117, 4CH-018252, FT-0643473, ST51041739, W3308, 2-chloranyl-4-nitro-1-(trifluoromethyl)benzene, B-3247, A809183, I01-5811, J-008814, C7H3ClF3NO2, 2-Chloro-4-nitrobenzonitrile, ZINC02555648, ACN-055921, CID2778985, 28163-00-0,

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	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number