AG0039TI

55736-04-4 | 1-(2-Chloro-6-hydroxyphenyl)ethanone

AG0039TI

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CAS Number	55736-04-4
Catalog Number	AG0039TI(AGN-PC-0JTGI8)
Chemical Name	1-(2-Chloro-6-hydroxyphenyl)ethanone
IUPAC Name	1-(2-chloro-6-hydroxyphenyl)ethanone
InChI	InChI=1S/C8H7ClO2/c1-5(10)8-6(9)3-2-4-7(8)11/h2-4,11H,1H3
InChI Key	RUSSVKYJPIADHS-UHFFFAOYSA-N
MDL Number	MFCD00218550
Molecular Formula	C8H7ClO2
Molecular Weight	170.5930
SMILES	CC(C1=C(O)C=CC=C1Cl)=O
Synonyms	1-(2-Chloro-6-hydroxyphenyl)ethanone, 55736-04-4, 1-(2-Chloro-6-hydroxyphenyl)ethan-1-one, 2'-Chloro-6'-hydroxyacetophenone, RUSSVKYJPIADHS-UHFFFAOYSA-N, AC1LC2Y0, SCHEMBL1237641, CTK5J9479, DTXSID00343949, ZINC158038, KS-00000HB8, ANW-49309, MFCD00218550, AKOS015919963, CS-W019885, FS-3236, RP23285, 1-(2-Chloro-6-hydroxy-phenyl)-ethanone, 1-(2-Chloro-6-hydroxyphenyl)ethanone #, AJ-15136, AK-29397, BR-29397, SC-53121, Ethanone, 1-(2-chloro-6-hydroxyphenyl)-, Ethanone, 1-(6-chloro-2-hydroxyphenyl)-, DB-072037, TC-138054, 4CH-007791, FT-0648034, ST24026835, W6966, S-6103, J-502969, Z1741977217, C8H7ClO2, CID593415, ZINC00158038, (R)-6-FLUORO-INDAN-1-YLAMINE, 790208-54-7,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.013g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.592g/mol
Monoisotopic Mass	170.013g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number