methyl 3-methoxy-2-nitrobenzoate

methyl 3-methoxy-2-nitrobenzoate

CAS: 5307-17-5

Formula: C9H9NO5

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

IUPAC: methyl 3-methoxy-2-nitrobenzoate

InChI: InChI=1S/C9H9NO5/c1-14-7-5-3-4-6(9(11)15-2)8(7)10(12)13/h3-5H,1-2H3

Composition: C (51.19%), H (4.30%), N (6.63%), O (37.88%)

Molar Mass: 211.173

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.048072394
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FDQQRLPHAAICCR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.87
Topological Polar Surface Area	78.67
Polarizability	19.27
Ring Count	1
Rotatable Bond Count	4

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