AG003B9B

778-94-9 | 2-Nitro-4-(trifluoromethyl)benzonitrile

AG003B9B

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CAS Number	778-94-9
Catalog Number	AG003B9B(AGN-PC-0JL9C9)
Chemical Name	2-Nitro-4-(trifluoromethyl)benzonitrile
EC Number	212-298-1
IUPAC Name	2-nitro-4-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H
InChI Key	BQCWLXXZTCLGSZ-UHFFFAOYSA-N
MDL Number	MFCD00014684
Molecular Formula	C8H3F3N2O2
Molecular Weight	216.1168
NSC Number	88323
SMILES	N#CC1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
UNII	E6Z0MKD079
Synonyms	2-Nitro-4-(trifluoromethyl)benzonitrile, 778-94-9, 4-Cyano-3-nitrobenzotrifluoride, 2-nitro-4-trifluoromethylbenzonitrile, UNII-E6Z0MKD079, 2-Nitro-4-trifluoromethyl-benzonitrile, Benzonitrile, 2-nitro-4-(trifluoromethyl)-, MFCD00014684, E6Z0MKD079, BQCWLXXZTCLGSZ-UHFFFAOYSA-N, 2-Cyano-5-(trifluoromethyl)nitrobenzene, 2-nitro-4-(trifluoromethyl)benzenecarbonitrile, W-104293, 2-Nitro-4-trifluoromethylbenzotrile, NSC88323, EINECS 212-298-1, PubChem15190, AC1L2CXB, AC1Q4RFJ, ACMC-1BF2X, EC 212-298-1, KSC380Q9F, SCHEMBL463657, AC1Q1X97, CTK2I0892, ZINC56709, DTXSID40228423, WT313, 2-nitro4-trifluoromethylbenzonitrile, ZX-AP005045, ANW-46864, NSC-88323, PC2103, SBB064880, TD1112, 2-nitro-4(trifluoromethyl)benzonitrile, 2-nitro-4-trifluoromethyl benzonitrile, AKOS005063753, AC-7725, AF10020, AN-2199, RL05009, TRA0049704, VZ25064, KS-000011B9, 2-nitro-4-(trifluoromethyl)-benzonitrile, AJ-09375, AK-36375, C124, CC-11637, CJ-00388, SC-22379, ZB001791, AB0010377, AX8010789, DB-000376, ST2404518, TC-010860, 4CH-003037, A9834, AM20041168, FT-0613162, ST50307065, 2-Nitro-4-(trifluoromethyl)benzonitrile, 99%, M-2004, C-11605, 778-94-9 2-nitro-4-(trifluoromethyl)benzonitrile, I01-6193, C8H3F3N2O2, 2-NITRO-4- BENZONITRILE, 2-Nitro-4-fluoromethylbenzonitrile, CID69902, C8-H3-F3-N2-O2, AR-1E4339, ACN-040031, 2-Nitro-4-(trifluoromethyl)benzonitrile, 99% - 100G 100g, 824-93-1,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.015g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.119g/mol
Monoisotopic Mass	216.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number