methyl 4-(4-chloro-2-nitrophenoxymethyl)benzoate

methyl 4-(4-chloro-2-nitrophenoxymethyl)benzoate

CAS: 488110-29-8

Formula: C15H12ClNO5

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

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

InChI: InChI=1S/C15H12ClNO5/c1-21-15(18)11-4-2-10(3-5-11)9-22-14-7-6-12(16)8-13(14)17(19)20/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	4
Hydrogen Bond Donor Count	0
InChIKey	JZXUZOILBPADIH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.28
Topological Polar Surface Area	78.67
Polarizability	30.67
Ring Count	2
Rotatable Bond Count	6

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