3-(2-chloro-4-nitrophenoxymethyl)-4-methoxybenzaldehyde

3-(2-chloro-4-nitrophenoxymethyl)-4-methoxybenzaldehyde

CAS: 832739-80-7

Formula: C15H12ClNO5

SMILES: COC1=CC=C(C=O)C=C1COC1=CC=C(C=C1Cl)[N+]([O-])=O

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

InChI: InChI=1S/C15H12ClNO5/c1-21-14-4-2-10(8-18)6-11(14)9-22-15-5-3-12(17(19)20)7-13(15)16/h2-8H,9H2,1H3

Composition: C (56.00%), H (3.76%), Cl (11.02%), N (4.35%), O (24.87%)

Molar Mass: 321.71

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	321.0404002
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	QTLWVDIJGVEGIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.31
Topological Polar Surface Area	78.67
Polarizability	30.69
Ring Count	2
Rotatable Bond Count	6

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