ethyl 2-amino-2-(2-nitrophenyl)acetate hydrochloride

ethyl 2-amino-2-(2-nitrophenyl)acetate hydrochloride

CAS: 288591-66-2

Formula: C10H13ClN2O4

SMILES: Cl.CCOC(=O)C(N)C1=CC=CC=C1[N+]([O-])=O

IUPAC: ethyl 2-amino-2-(2-nitrophenyl)acetate hydrochloride

InChI: InChI=1/C10H12N2O4.ClH/c1-2-16-10(13)9(11)7-5-3-4-6-8(7)12(14)15;/h3-6,9H,2,11H2,1H3;1H

Composition: C (46.08%), H (5.03%), Cl (13.60%), N (10.75%), O (24.55%)

Molar Mass: 260.67

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	260.0563846
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DTYUKJKUZBYCEF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.2
Topological Polar Surface Area	95.46
Polarizability	21.9
Ring Count	1
Rotatable Bond Count	5

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