(2S)-2-amino-N-(4-nitrophenyl)propanamide

(2S)-2-amino-N-(4-nitrophenyl)propanamide

CAS: 1668-13-9

Formula: C9H11N3O3

SMILES: C[C@H](N)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: (2S)-2-amino-N-(4-nitrophenyl)propanamide

InChI: InChI=1S/C9H11N3O3/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15/h2-6H,10H2,1H3,(H,11,13)/t6-/m0/s1

Composition: C (51.67%), H (5.30%), N (20.09%), O (22.94%)

Molar Mass: 209.205

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	209.080041226
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PXFUDSMGEYRNNC-LURJTMIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.1
Topological Polar Surface Area	98.26
Polarizability	20.49
Ring Count	1
Rotatable Bond Count	3

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