AG00DD02

5378-27-8 | 4-(1,3,4-OXADIAZOL-2-YL)PHENOL

AG00DD02

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CAS Number	5378-27-8
Catalog Number	AG00DD02(AGN-PC-0OBYPA)
Chemical Name	4-(1,3,4-OXADIAZOL-2-YL)PHENOL
IUPAC Name	4-(1,3,4-oxadiazol-2-yl)phenol
InChI	InChI=1S/C8H6N2O2/c11-7-3-1-6(2-4-7)8-10-9-5-12-8/h1-5,11H
InChI Key	WENOJMGPELLGMA-UHFFFAOYSA-N
MDL Number	MFCD00221056
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	OC1=CC=C(C2=NN=CO2)C=C1
Synonyms	4-(1,3,4-oxadiazol-2-yl)phenol, 5378-27-8, 4-[1,3,4]Oxadiazol-2-yl-phenol, Phenol,4-(1,3,4-oxadiazol-2-yl)-, 4-(1,3,4)oxadiazol-2-yl-phenol, AC1NU8JL, Maybridge3_006494, AC1Q78QZ, SCHEMBL860256, AC1Q78R0, 4-(1,3,4-oxadiazolyl)phenol, CTK4J8781, DTXSID40419854, WENOJMGPELLGMA-UHFFFAOYSA-N, HMS1449H04, ZINC110470, 4-[1,3,4]Oxadiazol-2-ylphenol, MFCD00221056, ODZ100105, SBB079133, STK242782, 4-(1,3,4)-oxadiazol-2-yl-phenol, 4-(1,3,4-oxadiazol-2-yl)-phenol, 4-(1,3,4-oxadiazole-2-yl)-phenol, AKOS001042376, ZINC135832657, MCULE-5573805900, IDI1_017881, AJ-11341, BS-14107, SC-51597, BB 0238208, ST45178004, EN300-06402, K-9726, AS-871/42874599, 4-(1,3,4-OXADIAZOL-2-YL)PHENOL, 95+%, 4-(3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,5-dien-1-one, ZINC00110470, CID5396727, 3-chloro-4-pyrrolidin-1-ylbenzoic acid,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	59.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P305+P351+P338

Certificate of Analysis

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