4-amino-3-bromo-5-nitrobenzonitrile

4-amino-3-bromo-5-nitrobenzonitrile

CAS: 1239720-33-2

Formula: C7H4BrN3O2

SMILES: NC1=C(Br)C=C(C=C1[N+]([O-])=O)C#N

IUPAC: 4-amino-3-bromo-5-nitrobenzonitrile

InChI: InChI=1S/C7H4BrN3O2/c8-5-1-4(3-9)2-6(7(5)10)11(12)13/h1-2H,10H2

Composition: C (34.74%), H (1.67%), Br (33.01%), N (17.36%), O (13.22%)

Molar Mass: 242.032

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.948689
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CXFJPTGXTQYIPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.42
Topological Polar Surface Area	92.95
Polarizability	18.25
Ring Count	1
Rotatable Bond Count	1

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