AG00BD3L

25889-36-5 | 3-Nitro-4-(trifluoromethyl)phenol

AG00BD3L

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CAS Number	25889-36-5
Catalog Number	AG00BD3L(AGN-PC-01NPUS)
Chemical Name	3-Nitro-4-(trifluoromethyl)phenol
IUPAC Name	3-nitro-4-(trifluoromethyl)phenol
InChI	InChI=1S/C7H4F3NO3/c8-7(9,10)5-2-1-4(12)3-6(5)11(13)14/h1-3,12H
InChI Key	NIIKTULPELJXBP-UHFFFAOYSA-N
MDL Number	MFCD07783660
Molecular Formula	C7H4F3NO3
Molecular Weight	207.1068
SMILES	[N+](=O)([O-])C1=C(C=CC(=C1)O)C(F)(F)F
Synonyms	3-Nitro-4-(trifluoromethyl)phenol, 25889-36-5, 4-(Trifluoromethyl)-3-nitrophenol, Phenol, 3-nitro-4-(trifluoromethyl)-, AK-34398, Intermediates-ZCF02689, KSC495G2H, SCHEMBL7327413, CTK3J5323, DTXSID30592387, WT225, KS-00000HU6, ZX-AP005261, ANW-50136, MFCD07783660, PC0997, SBB065204, ZINC16125562, AKOS005145865, AS05508, CM11798, DS-0854, FCH1385969, RP26299, RTR-011743, ACM25889365, 4-HYDROXY-2-NITROBENZOTRIFLUORIDE, AJ-68446, BR-34398, CJ-15389, AB0023784, AX8161273, TR-011743, 4CH-002534, FT-0653581, ST24032655, W4920, TL800742035, A19938, S-4185, 25889-36-5 3-nitro-4-(trifluoromethyl)phenol, I01-7290, J-512964, C7H4F3NO3,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.014g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.108g/mol
Monoisotopic Mass	207.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number