AG003LHE

320-42-3 | 4-Hydroxy-2-(trifluoromethyl)benzonitrile

AG003LHE

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CAS Number	320-42-3
Catalog Number	AG003LHE(AGN-PC-0KL25D)
Chemical Name	4-Hydroxy-2-(trifluoromethyl)benzonitrile
IUPAC Name	4-hydroxy-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H4F3NO/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3,13H
InChI Key	MDBVIOUGHSKRMT-UHFFFAOYSA-N
MDL Number	MFCD06797340
Molecular Formula	C8H4F3NO
Molecular Weight	187.1187
SMILES	N#CC1=CC=C(O)C=C1C(F)(F)F
Synonyms	4-hydroxy-2-(trifluoromethyl)benzonitrile, 320-42-3, 4-Hydroxy-2-(trifluoroemthyl)benzonitrile, MFCD06797340, PubChem4807, AC1MD3VQ, SCHEMBL1128325, CTK1C1905, DTXSID70382466, 2-Cyano-5-hydroxybenzotrifluoride, MDBVIOUGHSKRMT-UHFFFAOYSA-N, 4-Cyano-3-(trifluoromethyl)phenol, ACT01021, ANW-47462, CH-604, SBB064399, ZINC15442959, AKOS005257960, AC-4096, AM61897, AS01700, CM13124, CS-W016862, FS-2096, TRA0087141, KS-0000104I, 4-Hydroxy-2-trifluoromethyl-benzonitrile, AJ-67447, AN-12291, BR-34666, 4-hydroxy-2-(trifluoromethyl)-benzonitrile, AB0024174, DB-030987, ST2405821, TC-136207, FT-0652493, W5385, Benzonitrile, 4-hydroxy-2-(trifluoromethyl)-, A20974, S-4696, 4-hydroxy-2-(trifluoromethyl)benzenecarbonitrile, 320H423, I01-4774, C8H4F3NO, CID2783153,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.121g/mol
Monoisotopic Mass	187.024g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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