methyl 2-bromo-4-methoxy-3-nitrobenzoate

methyl 2-bromo-4-methoxy-3-nitrobenzoate

CAS: 2241588-89-4

Formula: C9H8BrNO5

SMILES: COC(=O)C1=C(Br)C(=C(OC)C=C1)[N+]([O-])=O

IUPAC: methyl 2-bromo-4-methoxy-3-nitrobenzoate

InChI: InChI=1S/C9H8BrNO5/c1-15-6-4-3-5(9(12)16-2)7(10)8(6)11(13)14/h3-4H,1-2H3

Composition: C (37.27%), H (2.78%), Br (27.55%), N (4.83%), O (27.58%)

Molar Mass: 290.069

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	288.958585
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WCOQYXUQFHIJIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.49
Topological Polar Surface Area	78.67
Polarizability	22.31
Ring Count	1
Rotatable Bond Count	4

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