4,5-diamino-2-bromobenzonitrile

4,5-diamino-2-bromobenzonitrile

Formula: C7H6BrN3

SMILES: NC1=C(N)C=C(C#N)C(Br)=C1

IUPAC: 4,5-diamino-2-bromobenzonitrile

InChI: InChI=1S/C7H6BrN3/c8-5-2-7(11)6(10)1-4(5)3-9/h1-2H,10-11H2

Composition: C (39.65%), H (2.85%), Br (37.68%), N (19.82%)

Molar Mass: 212.05

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.97451
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NOGOVJGNLNAETG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.8
Topological Polar Surface Area	75.83
Polarizability	17.31
Ring Count	1
Rotatable Bond Count	0

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C7H6BrN3		Quote Only