AG003JSM

784-77-0 | 3-Nitro-4-(trifluoromethoxy)benzoic acid

AG003JSM

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CAS Number	784-77-0
Catalog Number	AG003JSM(AGN-PC-01Z19V)
Chemical Name	3-Nitro-4-(trifluoromethoxy)benzoic acid
IUPAC Name	3-nitro-4-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H4F3NO5/c9-8(10,11)17-6-2-1-4(7(13)14)3-5(6)12(15)16/h1-3H,(H,13,14)
InChI Key	GDBCQTKUSLDFRP-UHFFFAOYSA-N
MDL Number	MFCD13185757
Molecular Formula	C8H4F3NO5
Molecular Weight	251.1163
SMILES	OC(=O)C1=CC(=C(OC(F)(F)F)C=C1)[N+]([O-])=O
Synonyms	3-Nitro-4-(trifluoromethoxy)benzoic acid, 784-77-0, Benzoic acid, 3-nitro-4-(trifluoromethoxy)-, AK-87522, MFCD13185757, SCHEMBL2345173, CTK8C1066, KS-00000CVA, DTXSID90595253, GDBCQTKUSLDFRP-UHFFFAOYSA-N, ACT13017, ANW-65821, ZINC59698544, 3-nitro-4-trifluoromethoxybenzoic acid, AKOS016005670, AM61678, CS-W003850, DS-2489, TRA0020231, 3-Nitro-4-(trifluoromethoxy)benzoicAcid, PC408277, SC-66372, SY023302, 3-Nitro-4-(trifluoromethoxyl)benzoic acid, AB0050806, AJ-113605, AX8236699, BC4716093, ST2410817, TX-018120, 4CH-011996, Z5131, M-9320, MFCD13185757 (97+%), C8H4F3NO5,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.004g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.117g/mol
Monoisotopic Mass	251.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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