methyl 2-(4-amino-3-nitrophenyl)acetate

methyl 2-(4-amino-3-nitrophenyl)acetate

CAS: 28694-94-2

Formula: C9H10N2O4

SMILES: COC(=O)CC1=CC=C(N)C(=C1)[N+]([O-])=O

IUPAC: methyl 2-(4-amino-3-nitrophenyl)acetate

InChI: InChI=1S/C9H10N2O4/c1-15-9(12)5-6-2-3-7(10)8(4-6)11(13)14/h2-4H,5,10H2,1H3

Composition: C (51.43%), H (4.80%), N (13.33%), O (30.45%)

Molar Mass: 210.189

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.06405681
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KMSVFPDFFCHFRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.16
Topological Polar Surface Area	95.46
Polarizability	19.72
Ring Count	1
Rotatable Bond Count	4

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