C1=CC(=CC(=C1)[N+](=O)[O-])CBr
CAS: 3958-57-4
Name: 1-(bromomethyl)-3-nitrobenzene
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CBr

Molecular Processing

Molecular formula
C7H6BrNO2
Molecular weight
216.03
Exact mass
214.9582
XLogP
2.49
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
45.73

Supplementary Information

InChIKey: LNWXALCHPJANMJ-UHFFFAOYSA-N
Synonyme
3-Nitrobenzyl bromide3958-57-4m-Nitrobenzyl bromideBenzene, 1-(bromomethyl)-3-nitro-m-(Bromomethyl)nitrobenzenealpha-Bromo-m-nitrotoluenem-Nitro-alpha-bromotolueneToluene, alpha-bromo-m-nitro-CCRIS 7970EINECS 223-557-3NSC 66499DTXSID4063246mNitrobenzyl bromidealphaBromomnitrotoluenemNitroalphabromotoluenealphaBromo3nitrotolueneToluene, alphabromomnitroRefChem:562374m(Bromomethyl)nitrobenzene1(Bromomethyl)3nitrobenzeneBenzene, 1(bromomethyl)3nitroDTXCID9039650InChI=1/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H1-(Bromomethyl)-3-nitrobenzenealpha-Bromo-3-nitrotoluene1-Bromomethyl-3-nitrobenzene3-nitrobenzylbromideMFCD000072713-nitro-benzyl bromide.alpha.-Bromo-m-nitrotoluene
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