4-amino-3,5-dibromobenzonitrile

4-amino-3,5-dibromobenzonitrile

CAS: 58633-04-8

Formula: C7H4Br2N2

SMILES: NC1=C(Br)C=C(C=C1Br)C#N

IUPAC: 4-amino-3,5-dibromobenzonitrile

InChI: InChI=1S/C7H4Br2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2

Composition: C (30.47%), H (1.46%), Br (57.92%), N (10.15%)

Molar Mass: 275.931

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	273.874124
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UWIGJWZPRNWPBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.73
Topological Polar Surface Area	49.81
Polarizability	19.23
Ring Count	1
Rotatable Bond Count	0

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OTAVA LTD.

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