AG000MRK

124811-71-8 | Benzonitrile, 4-hydroxy-3-(trifluoromethyl)-

AG000MRK

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CAS Number	124811-71-8
Catalog Number	AG000MRK(AGN-PC-0KL25J)
Chemical Name	Benzonitrile, 4-hydroxy-3-(trifluoromethyl)-
IUPAC Name	4-hydroxy-3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H4F3NO/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3,13H
InChI Key	QXIFYONUKBXFTH-UHFFFAOYSA-N
MDL Number	MFCD06797882
Molecular Formula	C8H4F3NO
Molecular Weight	187.1187
SMILES	N#Cc1ccc(O)c(c1)C(F)(F)F
Synonyms	4-hydroxy-3-(trifluoromethyl)benzonitrile, 124811-71-8, MFCD06797882, 4-Hydroxy-3-trifluoromethyl-benzonitrile, AK-33040, Benzonitrile, 4-hydroxy-3-(trifluoromethyl)-, PubChem4808, AC1MD3W8, ACMC-1C4P4, KSC514A8J, SCHEMBL524173, CTK4B4084, KS-00000EID, DTXSID20382471, 5-Cyano-2-hydroxybenzotrifluoride, QXIFYONUKBXFTH-UHFFFAOYSA-N, WT509, 4-Cyano-2-(trifluoromethyl)phenol, ACT00184, ZX-AP001960, ANW-18280, CH-605, FCH918991, SBB064303, TD1068, ZINC15442969, AKOS005254758, AC-4097, AM61750, AS01701, CM10004, CS-W003349, FS-2097, LS10253, PC10355, TRA0077230, AJ-67449, AN-12292, BR-33040, CJ-15130, SC-00657, SY018278, 4-hydroxy-3-(trifluoromethyl) benzonitrile, AB0035301, AX8097667, ST2405828, TC-107025, 4CH-017823, Benzonitrile,4-hydroxy-3-(trifluoromethyl)-, FT-0657135, X9608, A20976, B-6743, 4-hydroxy-3-(trifluoromethyl)benzenecarbonitrile, MFCD06797882 (97+%), 811H718, I01-4591, 124811-71-8 4-hydroxy-3-(trifluoromethyl)benzonitrile, C8H4F3NO, CID2783159,

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

Certificate of Analysis

Lot Number