3-methoxy-2-nitrobenzamide

3-methoxy-2-nitrobenzamide

CAS: 99595-85-4

Formula: C8H8N2O4

SMILES: COC1=CC=CC(C(N)=O)=C1[N+]([O-])=O

IUPAC: 3-methoxy-2-nitrobenzamide

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

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	MZGJDLQJIXSZRB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.92
Topological Polar Surface Area	95.46
Polarizability	17.69
Ring Count	1
Rotatable Bond Count	3

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