4-(bromomethyl)-2-methyl-1-nitrobenzene

4-(bromomethyl)-2-methyl-1-nitrobenzene

CAS: 141281-38-1

Formula: C8H8BrNO2

SMILES: CC1=CC(CBr)=CC=C1[N+]([O-])=O

IUPAC: 4-(bromomethyl)-2-methyl-1-nitrobenzene

InChI: InChI=1S/C8H8BrNO2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,5H2,1H3

Composition: C (41.77%), H (3.51%), Br (34.73%), N (6.09%), O (13.91%)

Molar Mass: 230.061

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.973842
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WOUWGCLQOJPWHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.27
Topological Polar Surface Area	43.14
Polarizability	18.62
Ring Count	1
Rotatable Bond Count	2

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