AG0036S1

978-62-1 | N-[3,5-Bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

AG0036S1

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CAS Number	978-62-1
Catalog Number	AG0036S1(AGN-PC-0LMBCL)
Chemical Name	N-[3,5-Bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
IUPAC Name	N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
InChI	InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
InChI Key	CHILCFMQWMQVAL-UHFFFAOYSA-N
MDL Number	MFCD00218820
Molecular Formula	C15H8ClF6NO2
Molecular Weight	383.6729
SMILES	FC(C=1C=C(C=C(C1)C(F)(F)F)NC(C1=C(C=CC(=C1)Cl)O)=O)(F)F
UNII	76145IS906
Synonyms	IMD 0354, IMD-0354, IMD0354, N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide, IMD-0354, 978-62-1, IMD 0354, IKK-2 Inhibitor V, IMD0354, TCMDC-125465, N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide, UNII-76145IS906, N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide, CHEMBL536151, N-(3,5-Bis-trifluoromethylphenyl)-5-chloro-2-hydroxybenzamide, MFCD00218820, 76145IS906, Benzamide, N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxy-, Benzamide, N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-, CHILCFMQWMQVAL-UHFFFAOYSA-N, IKK2 Inhibitor V, Kinome_1864, AC1NO40S, C15H8ClF6NO2, MLS006011200, SCHEMBL129165, CHEBI:93310, CTK8G0277, AOB5931, DTXSID50243248, HMS3229F11, HMS3269F13, HMS3651D21, HMS3677J21, BCP22358, KS-00000T7G, ZINC3986227, 2473AH, BDBM50430160, IN1463, s2864, AKOS017344958, BCP9000777, CS-4922, SB19541, 3',5'-Salicyloxylidide, 5-chloro-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-, NCGC00165811-01, NCGC00165811-02, NCGC00165811-03, NCGC00165811-06, AK176084, BC600653, HY-10172, SMR004702969, BCP0726000026, IMD-0354, >=98% (HPLC), solid, SW219746-1, BRD-K74305673-001-01-3, 5-Chloro-2-hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]benzamide, 5-chloro-2-hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]-benzamide, N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-benzamide, D0Z5DM, IMD-2560, IMD-2560), CID5081913, B1587, A12837, C492919, IKK-beta inhibitor (dermatological, atopic dermatitis/acne), IMMD, IL-6 release inhibitor (oral, rheumatoid arthritis/osteoporosis), IMMD, IMD-0354, 99%, a synthetic selective NF-kB inhibitor - 100MG 100mg, I-kappaB kinase beta inhibitor (oral, rheumatoid arthritis/osteoporosis), IMMD, I-kappaB kinase beta inhibitor (dermatological, atopic dermatitis/acne), Institute of Medicinal MolecularDesign,

Complexity	462
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	383.015g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	383.674g/mol
Monoisotopic Mass	383.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.2

GHS Hazard and Precautionary Statements

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

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