(1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

(1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

CAS: 716-61-0

Formula: C9H12N2O4

SMILES: N[C@H](CO)[C@H](O)C1=CC=C(C=C1)N(=O)=O

IUPAC: (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

InChI: InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1

Composition: C (50.94%), H (5.70%), N (13.20%), O (30.16%)

Molar Mass: 212.205

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	212.079706874
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	OCYJXSUPZMNXEN-RKDXNWHRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.78
Topological Polar Surface Area	112.3
Polarizability	20.54
Ring Count	1
Rotatable Bond Count	4

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