AG0027QM

1836-06-2 | Ethanone, 1-(3-bromo-4-hydroxyphenyl)-

AG0027QM

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CAS Number	1836-06-2
Catalog Number	AG0027QM(AGN-PC-0JTPO4)
Chemical Name	Ethanone, 1-(3-bromo-4-hydroxyphenyl)-
IUPAC Name	1-(3-bromo-4-hydroxyphenyl)ethanone
InChI	InChI=1S/C8H7BrO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
InChI Key	LEXAYGVHWYOOAB-UHFFFAOYSA-N
MDL Number	MFCD03208974
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
SMILES	CC(C1=CC=C(O)C(Br)=C1)=O
Synonyms	1-(3-Bromo-4-hydroxyphenyl)ethanone, 1836-06-2, Ethanone, 1-(3-bromo-4-hydroxyphenyl)-, LEXAYGVHWYOOAB-UHFFFAOYSA-N, 1-(3-bromo-4-hydroxyphenyl)ethan-1-one, Acetophenone, 3'-bromo-4'-hydroxy-, AC1LCWSI, 2-Bromo-4-acetylphenol, SCHEMBL985272, 3-bromo-4-hydroxyphenyl acetone, CTK4D8540, DTXSID20345925, MFCD03208974, ZINC32234552, AKOS012205788, 1-(3-bromo-4-hydroxy-phenyl)-ethanone, 1-(3-Bromo-4-hydroxyphenyl)ethanone #, 3'-BROMO-4'-HYDROXYACETOPHENONE, Ethanone,1-(3-bromo-4-hydroxyphenyl)-, AK201265, AS-18975, CS-0042105, X3577, Z2465619912, C8H7BrO2, CID608094, B5158,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.046g/mol
Monoisotopic Mass	213.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^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-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number