AG0014XG

1214373-54-2 | Benzoic acid, 2-nitro-5-(trifluoromethyl)-

AG0014XG

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CAS Number	1214373-54-2
Catalog Number	AG0014XG(AGN-PC-0JI9YI)
Chemical Name	Benzoic acid, 2-nitro-5-(trifluoromethyl)-
IUPAC Name	2-nitro-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F3NO4/c9-8(10,11)4-1-2-6(12(15)16)5(3-4)7(13)14/h1-3H,(H,13,14)
InChI Key	POSKCQXWHNDYKW-UHFFFAOYSA-N
MDL Number	MFCD13185776
Molecular Formula	C8H4F3NO4
Molecular Weight	235.1169
SMILES	C(=O)(O)c1c(N(=O)=O)ccc(c1)C(F)(F)F
Synonyms	2-Nitro-5-(trifluoromethyl)benzoic acid, 1214373-54-2, 2-NITRO-5-TRIFLUOROMETHYLBENZOIC ACID, SCHEMBL16031334, DTXSID10856530, POSKCQXWHNDYKW-UHFFFAOYSA-N, CL8991, MFCD13185776, ZINC72338575, AKOS022177767, RP28165, AS-46163, AJ-121020, Benzoic acid, 2-nitro-5-(trifluoromethyl)-, Z1830, Z2235409325, C8H4F3NO4,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.009g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.118g/mol
Monoisotopic Mass	235.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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