2-amino-N-(4-bromophenyl)-2-cyanoacetamide

2-amino-N-(4-bromophenyl)-2-cyanoacetamide

CAS: 287474-40-2

Formula: C9H8BrN3O

SMILES: NC(C#N)C(=O)NC1=CC=C(Br)C=C1

IUPAC: 2-amino-N-(4-bromophenyl)-2-cyanoacetamide

InChI: InChI=1/C9H8BrN3O/c10-6-1-3-7(4-2-6)13-9(14)8(12)5-11/h1-4,8H,12H2,(H,13,14)

Composition: C (42.54%), H (3.17%), Br (31.45%), N (16.54%), O (6.30%)

Molar Mass: 254.087

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	252.985075
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SUAABKUMYHBBEU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.86
Topological Polar Surface Area	78.91
Polarizability	21.3
Ring Count	1
Rotatable Bond Count	2

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