methyl 3-formyl-5-nitrobenzoate

methyl 3-formyl-5-nitrobenzoate

CAS: 172899-78-4

Formula: C9H7NO5

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

IUPAC: methyl 3-formyl-5-nitrobenzoate

InChI: InChI=1S/C9H7NO5/c1-15-9(12)7-2-6(5-11)3-8(4-7)10(13)14/h2-5H,1H3

Composition: C (51.68%), H (3.37%), N (6.70%), O (38.25%)

Molar Mass: 209.157

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.032422329
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	VWRFFTKYHYLALS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.99
Topological Polar Surface Area	86.51
Polarizability	18.66
Ring Count	1
Rotatable Bond Count	4

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