methyl 2-bromo-4-methyl-5-nitrobenzoate

methyl 2-bromo-4-methyl-5-nitrobenzoate

CAS: 1202858-67-0

Formula: C9H8BrNO4

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

IUPAC: methyl 2-bromo-4-methyl-5-nitrobenzoate

InChI: InChI=1S/C9H8BrNO4/c1-5-3-7(10)6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3

Composition: C (39.44%), H (2.94%), Br (29.15%), N (5.11%), O (23.35%)

Molar Mass: 274.07

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.963671
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MAXILNCXDUTLSP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.07
Topological Polar Surface Area	69.44
Polarizability	21.46
Ring Count	1
Rotatable Bond Count	3

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