methyl 2,4-dimethyl-5-nitrobenzoate

methyl 2,4-dimethyl-5-nitrobenzoate

CAS: 202264-66-2

Formula: C10H11NO4

SMILES: COC(=O)C1=CC(=C(C)C=C1C)[N+]([O-])=O

IUPAC: methyl 2,4-dimethyl-5-nitrobenzoate

InChI: InChI=1S/C10H11NO4/c1-6-4-7(2)9(11(13)14)5-8(6)10(12)15-3/h4-5H,1-3H3

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.068807838
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QAORUQFQPFOSBF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.49
Topological Polar Surface Area	69.44
Polarizability	20.21
Ring Count	1
Rotatable Bond Count	3

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