1,3-dibromo-5-isocyanatobenzene

1,3-dibromo-5-isocyanatobenzene

CAS: 35122-97-5

Formula: C7H3Br2NO

SMILES: BrC1=CC(=CC(Br)=C1)N=C=O

IUPAC: 1,3-dibromo-5-isocyanatobenzene

InChI: InChI=1S/C7H3Br2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H

Composition: C (30.36%), H (1.09%), Br (57.71%), N (5.06%), O (5.78%)

Molar Mass: 276.915

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	274.85814
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LWZINQDLMRXGHY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.38
Topological Polar Surface Area	29.43
Polarizability	18.67
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	35122-97-5		$4,000.00$4,000.00