1-(bromomethyl)-3-nitrobenzene

1-(bromomethyl)-3-nitrobenzene

CAS: 3958-57-4

Formula: C7H6BrNO2

SMILES: BrCC1=CC=CC(=C1)N(=O)=O

IUPAC: 1-(bromomethyl)-3-nitrobenzene

InChI: InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2

Composition: C (38.92%), H (2.80%), Br (36.99%), N (6.48%), O (14.81%)

Molar Mass: 216.034

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.958191
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LNWXALCHPJANMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.23
Topological Polar Surface Area	45.82
Polarizability	16.89
Ring Count	1
Rotatable Bond Count	2

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