methyl 3-amino-5-nitrobenzoate

methyl 3-amino-5-nitrobenzoate

CAS: 23218-93-1

Formula: C8H8N2O4

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

IUPAC: methyl 3-amino-5-nitrobenzoate

InChI: InChI=1S/C8H8N2O4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,9H2,1H3

Composition: C (48.98%), H (4.11%), N (14.28%), O (32.62%)

Molar Mass: 196.162

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.048406746
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HZVBRLJDOZZHFL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.1
Topological Polar Surface Area	95.46
Polarizability	17.87
Ring Count	1
Rotatable Bond Count	3

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