2-benzyl-5-bromoisoindole-1,3-dione

2-benzyl-5-bromoisoindole-1,3-dione

CAS: 82104-06-1

Formula: C15H10BrNO2

SMILES: BrC1=CC2=C(C=C1)C(=O)N(CC1=CC=CC=C1)C2=O

IUPAC: 2-benzyl-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione

InChI: InChI=1S/C15H10BrNO2/c16-11-6-7-12-13(8-11)15(19)17(14(12)18)9-10-4-2-1-3-5-10/h1-8H,9H2

Composition: C (56.99%), H (3.19%), Br (25.27%), N (4.43%), O (10.12%)

Molar Mass: 316.154

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	314.989492
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ONOGZPQVJLPGMR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.45
Topological Polar Surface Area	37.38
Polarizability	28.35
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	82104-06-1		$179.52-$1,192.13$179.52$444.13$1,192.13