5-bromo-2-methoxy-1-methyl-3-nitrobenzene

5-bromo-2-methoxy-1-methyl-3-nitrobenzene

CAS: 1375069-27-4

Formula: C8H8BrNO3

SMILES: COC1=C(C)C=C(Br)C=C1[N+]([O-])=O

IUPAC: 5-bromo-2-methoxy-1-methyl-3-nitrobenzene

InChI: InChI=1S/C8H8BrNO3/c1-5-3-6(9)4-7(10(11)12)8(5)13-2/h3-4H,1-2H3

Composition: C (39.05%), H (3.28%), Br (32.47%), N (5.69%), O (19.51%)

Molar Mass: 246.06

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.968756
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ICHDLQVHXMFPAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.51
Topological Polar Surface Area	52.37
Polarizability	19.48
Ring Count	1
Rotatable Bond Count	2

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