AG0033EQ

109466-87-7 | 2-Nitro-4-(trifluoromethyl)benzaldehyde

AG0033EQ

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CAS Number	109466-87-7
Catalog Number	AG0033EQ(AGN-PC-0NGVPK)
Chemical Name	2-Nitro-4-(trifluoromethyl)benzaldehyde
IUPAC Name	2-nitro-4-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4F3NO3/c9-8(10,11)6-2-1-5(4-13)7(3-6)12(14)15/h1-4H
InChI Key	CTSYMGKKRHIYIH-UHFFFAOYSA-N
MDL Number	MFCD06797985
Molecular Formula	C8H4F3NO3
Molecular Weight	219.1175
SMILES	[N+](=O)([O-])C1=C(C=O)C=CC(=C1)C(F)(F)F
Synonyms	2-Nitro-4-(trifluoromethyl)benzaldehyde, 109466-87-7, 4-(Trifluoromethyl)-2-nitrobenzaldehyde, AK-79105, Benzaldehyde, 2-nitro-4-(trifluoromethyl)-, ACMC-20a53h, SCHEMBL204755, CTK4A6527, DTXSID10457268, CTSYMGKKRHIYIH-UHFFFAOYSA-N, KS-00000VP4, ZX-AP009384, 1856AA, 2-nitro-4-trifluoromethylbenzaldehyde, ANW-57531, MFCD06797985, ZINC25725545, AKOS016001412, AS05613, CM12007, CS-W005139, PC01502, AJ-82075, AS-33060, SC-95030, Benzaldehyde,2-nitro-4-(trifluoromethyl)-, AX8212859, DB-059911, RT-019104, ST2404516, 4CH-018459, FT-0687008, 2-Nitro-4-(trifluoromethyl)benzaldehyde, 97%, W-1394, J-002290, C8H4F3NO3, CID11160305,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.014g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.119g/mol
Monoisotopic Mass	219.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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