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1-(4-Bromo-2-fluorophenyl)-2-methyl-1-propanone

1-(4-Bromo-2-fluorophenyl)-2-methyl-1-propanone - CAS 801303-32-2

Catalog:	BB036468
Product Name:	1-(4-Bromo-2-fluorophenyl)-2-methyl-1-propanone
CAS:	801303-32-2
Synonyms:	1-(4-bromo-2-fluorophenyl)-2-methyl-1-propanone; 1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-one

Technical Data

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Computed Properties

IUPAC Name:	1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-one
Description:	1-(4-Bromo-2-fluorophenyl)-2-methyl-1-propanone (CAS# 801303-32-2 ) is a useful research chemical.
Molecular Weight:	245.09
Molecular Formula:	C10H10BrFO
Canonical SMILES:	CC(C)C(=O)C1=C(C=C(C=C1)Br)F
InChI:	InChI=1S/C10H10BrFO/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3
InChI Key:	YVCRHUDRWIOKCG-UHFFFAOYSA-N
LogP:	3.42690

Publication Number	Title	Priority Date
WO-2020082921-A1	Nitrogen heteroaryl amide derivative, preparation method therefor, and application thereof	20181024
CN-112601745-A	Azaaryl amide derivative and preparation method and application thereof	20181024
AU-2012250576-A1	Novel compounds as modulators of protein kinases	20110504
DK-2705029-T3	Hitherto UNKNOWN RELATIONS AS MODULATORS OF PROTEIN KINASES	20110504
EP-2705029-B1	Novel compounds as modulators of protein kinases	20110504

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.98991
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.98991
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4