AG00E1CT

50551-17-2 | 2-Formyl-5-nitrobenzotrifluoride, 4-Nitro-alpha,alpha,alpha-trifluoro-o-tolualdehyde

AG00E1CT

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CAS Number	50551-17-2
Catalog Number	AG00E1CT(AGN-PC-0NIVFS)
Chemical Name	2-Formyl-5-nitrobenzotrifluoride, 4-Nitro-alpha,alpha,alpha-trifluoro-o-tolualdehyde
IUPAC Name	4-nitro-2-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4F3NO3/c9-8(10,11)7-3-6(12(14)15)2-1-5(7)4-13/h1-4H
InChI Key	CREGKXZIHOMXBJ-UHFFFAOYSA-N
MDL Number	MFCD13185769
Molecular Formula	C8H4F3NO3
Molecular Weight	219.1175
SMILES	O=CC1=CC=C([N+]([O-])=O)C=C1C(F)(F)F
Synonyms	4-Nitro-2-(trifluoromethyl)benzaldehyde, 50551-17-2, 4-NITRO-2-TRIFLUOROMETHYLBENZALDEHYDE, Benzaldehyde, 4-nitro-2-(trifluoromethyl)-, 2-(TRIFLUOROMETHYL)-4-NITROBENZALDEHYDE, SCHEMBL2460265, DTXSID20496007, CREGKXZIHOMXBJ-UHFFFAOYSA-N, 2-trifluoromethyl-4-nitrobenzaldehyde, CL8924, MFCD13185769, ZINC39219118, AKOS017559994, AS04497, KS-0000246H, AJ-99177, AK136120, SC-25510, AB0033394, X6934, X-1465, 2-Formyl-5-nitrobenzotrifluoride, 4-Nitro-alpha,alpha,alpha-trifluoro-o-tolualdehyde, C8H4F3NO3, CS-4169,

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	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number