AG00393I

1176723-57-1 | 2-Nitro-5-(trifluoromethyl)benzaldehyde

AG00393I

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CAS Number	1176723-57-1
Catalog Number	AG00393I(AGN-PC-0WAN4I)
Chemical Name	2-Nitro-5-(trifluoromethyl)benzaldehyde
IUPAC Name	2-nitro-5-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4F3NO3/c9-8(10,11)6-1-2-7(12(14)15)5(3-6)4-13/h1-4H
InChI Key	GWFTUORCGNGELH-UHFFFAOYSA-N
MDL Number	MFCD13185768
Molecular Formula	C8H4F3NO3
Molecular Weight	219.1175
SMILES	[N+](=O)([O-])C1=C(C=O)C=C(C=C1)C(F)(F)F
Synonyms	2-Nitro-5-(trifluoromethyl)benzaldehyde, 1176723-57-1, AK138472, SCHEMBL17802484, KS-00000RRG, DTXSID60615811, MFCD13185768, ZINC95830164, AKOS022173845, CS-W021733, DS-3031, AJ-134306, AX8260075, ST24040940,

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	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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