2- (4-Bromophenyl) isoindolin-1-one

CAT: 0127-OR1055868-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1055868-01Size:250 mg

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CAS Number

4778-87-4

Purity

97%

Smiles

O=C1N(C2=CC=C(Br)C=C2)CC3=C1C=CC=C3

Chemical Information

2-(4-Bromophenyl)isoindolin-1-one

CAS Number	4778-87-4
PubChem CID	837043
IUPAC Name	2-(4-bromophenyl)-3H-isoindol-1-one
Molecular Formula	C14H10BrNO
Molecular Weight	288.14
XLogP	3.4
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	299

SMILES

C1C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H10BrNO/c15-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)14(16)17/h1-8H,9H2

InChIKey

RYVFNBCWCZCHSC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4778-87-4

CID: 837043

Formula: C14H10BrNO

MW: 288.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.14
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	286.99458
Monoisotopic Mass	286.99458
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1048119-01	2- (4-Aminophenyl) isoindolin-1-one
OR306558	2- (Piperidin-4-ylmethyl) isoindolin-1-one
OR322803	2- (Piperidin-4-yl) isoindolin-1-one
PC101257-01	4- (Trifluoromethyl) isoindolin-1-one
OR322806	2- (2-Aminoethyl) isoindolin-1-one
OR322992	2- (3-Aminopropyl) isoindolin-1-one
OR15143-01	1- (4-Bromophenyl) imidazolidin-2-one
OR1036900	1- (4-Bromophenyl) piperidin-2-one
OR9934-01	1- (4-Bromophenyl) pyrrolidin-2-one
OR1056173-01	1- (4-Bromophenyl) butan-2-one

Catalog	Name
sc-287018A	1- (4-Bromophenyl) piperidin-4-one
WCA43409-01	1- (4-Bromophenyl) -4-methoxybutan-1-one
AZB85778-01	4- (4-Bromophenyl) -1-phenylbutan-1-one
EAA55996-01	1- (4-Bromophenyl) -4-chlorobutan-1-one
FH MW 0036-01	1- (4-bromophenyl) -4-phenylbutan-1-one
408036-01	1- (4-Bromophenyl) hexan-1-one
sc-264577	1- (4-bromophenyl) heptan-1-one
RG-B040003-01	1- (4-Bromophenyl) Ethan-1-One
FB142334-01	1- (4-Bromophenyl) propan-1-one
408026-01	1- (4-Bromophenyl) butan-1-one