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

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

CAS: 832740-11-1

Formula: C16H15NO5

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

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

InChI: InChI=1S/C16H15NO5/c1-11-3-8-15(14(9-11)17(19)20)22-10-12-4-6-13(7-5-12)16(18)21-2/h3-9H,10H2,1-2H3

Composition: C (63.78%), H (5.02%), N (4.65%), O (26.55%)

Molar Mass: 301.298

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.095022587
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IYRBFQAEYXIKFQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.52
Topological Polar Surface Area	78.67
Polarizability	30.51
Ring Count	2
Rotatable Bond Count	6

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