AG00E8OT

6265-55-0 | 4-(1,3-Benzothiazol-2-yl)phenol

AG00E8OT

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CAS Number	6265-55-0
Catalog Number	AG00E8OT(AGN-PC-0ODT7P)
Chemical Name	4-(1,3-Benzothiazol-2-yl)phenol
IUPAC Name	4-(1,3-benzothiazol-2-yl)phenol
InChI	InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
InChI Key	ODMDLCWSMSFWCW-UHFFFAOYSA-N
MDL Number	MFCD01707773
Molecular Formula	C13H9NOS
Molecular Weight	227.2817
NSC Number	33004
SMILES	OC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1
Synonyms	4-(1,3-benzothiazol-2-yl)phenol, 6265-55-0, 4-(2-Benzothiazolyl)phenol, 2-(p-Hydroxyphenyl)benzothiazole, NSC33004, Phenol, 4-(2-benzothiazolyl)-, BRN 0163320, CHEMBL47875, Phenol, p-2-benzothiazolyl- (6CI,8CI), MLS000773814, Phenol,4-(2-benzothiazolyl)-, 4-(BENZO[D]THIAZOL-2-YL)PHENOL, SMR000364661, 4-benzothiazol-2-ylphenol, 4-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one, NCIMech_000238, AC1Q78QX, AC1NS015, SCHEMBL1346937, BDBM33932, cid_5351155, CTK5B5468, 2-(4-hydroxyphenyl)benzothiazole, ODMDLCWSMSFWCW-UHFFFAOYSA-N, 2-(4-hydroxyphenyl)-benzothiazole, HMS1732K20, HMS2766D10, 4'-Hydroxyphenyl-Benzo[D]Thiazole, KS-000009EU, ARK102978, CCG-35493, MFCD01707773, NSC-33004, SBB078732, STL169248, ZINC13130213, AKOS000293758, MCULE-9856052382, NE59960, 2-(4-hydroxyphenyl)-1,3-benzothiazole, NCGC00246125-01, NCGC00246125-02, AS-37535, NCI60_002887, SY046134, DB-073170, LS-103993, FT-0729504, ST45073449, EN300-11910, MFCD01707773 (95%), AB00628255-10, Z50128892, 4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-dienone, 4- PHENOL, C13-H9-N-O-S, CID5351155, 4-27-00-02082 (Beilstein Handbook Reference),

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.04g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.281g/mol
Monoisotopic Mass	227.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number