3-(5-fluoro-2-nitrophenoxymethyl)-4-methoxybenzaldehyde

3-(5-fluoro-2-nitrophenoxymethyl)-4-methoxybenzaldehyde

CAS: 438218-86-1

Formula: C15H12FNO5

SMILES: COC1=C(COC2=C(C=CC(F)=C2)[N+]([O-])=O)C=C(C=O)C=C1

IUPAC: 3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxybenzaldehyde

InChI: InChI=1S/C15H12FNO5/c1-21-14-5-2-10(8-18)6-11(14)9-22-15-7-12(16)3-4-13(15)17(19)20/h2-8H,9H2,1H3

Composition: C (59.02%), H (3.96%), F (6.22%), N (4.59%), O (26.21%)

Molar Mass: 305.261

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	305.069950653
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	QTKHWQMVCWMOBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.72
Topological Polar Surface Area	78.67
Polarizability	28.49
Ring Count	2
Rotatable Bond Count	6

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