ethyl 4-amino-3-nitrobenzoate

ethyl 4-amino-3-nitrobenzoate

CAS: 76918-64-4

Formula: C9H10N2O4

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

IUPAC: ethyl 4-amino-3-nitrobenzoate

InChI: InChI=1S/C9H10N2O4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2,10H2,1H3

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	HPCYANYWTUCLMH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.85
Topological Polar Surface Area	95.46
Polarizability	19.69
Ring Count	1
Rotatable Bond Count	4

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