4'-Bromo-2'-chloroacetophenone - CAS 252561-81-2

Name: 4'-Bromo-2'-chloroacetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018822
Product Name:	4'-Bromo-2'-chloroacetophenone
CAS:	252561-81-2
Synonyms:	1-(4-bromo-2-chlorophenyl)ethanone; 1-(4-bromo-2-chlorophenyl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-bromo-2-chlorophenyl)ethanone
Description:	4'-Bromo-2'-chloroacetophenone (CAS# 252561-81-2) is a useful research chemical.
Molecular Weight:	233.49
Molecular Formula:	C8H6BrClO
Canonical SMILES:	CC(=O)C1=C(C=C(C=C1)Br)Cl
InChI:	InChI=1S/C8H6BrClO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
InChI Key:	QYKIWOVJASCUBH-UHFFFAOYSA-N
Boiling Point:	265.602 °C at 760 mmHg
Density:	1.566 g/cm³
LogP:	3.30510

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Publication Number	Title	Priority Date
WO-2021134042-A1	Methods and compositions for inhibition of dihydroorotate dehydrogenase	20191226
WO-2020232330-A1	Inhibiting agents for bruton's tyrosine kinase	20190515
US-2019382349-A1	PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORgT	20180618
CN-112566901-A	Phenyl-substituted pyrazoles as modulators of ROR Î³ t	20180618
US-10975037-B2	Phenyl substituted pyrazoles as modulators of RORÎ³t	20180618

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.92906
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.92906
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9