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2-methoxy-4-nitrobenzaldehyde

2-methoxy-4-nitrobenzaldehyde

CAS: 136507-15-8

Formula: C8H7NO4

SMILES: COC1=CC(=CC=C1C=O)[N+]([O-])=O

IUPAC: 2-methoxy-4-nitrobenzaldehyde

InChI: InChI=1S/C8H7NO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-5H,1H3

Composition: C (53.04%), H (3.90%), N (7.73%), O (35.33%)

Molar Mass: 181.147

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 181.037507709
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey LEBUUZXTHMCZQZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.43
Topological Polar Surface Area 69.44
Polarizability 16.7
Ring Count 1
Rotatable Bond Count 3

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