CC1=C(C=C(C=C1)Br)C
CAS: 583-71-1
Name: 4-bromo-1,2-dimethylbenzene
SMILES: CC1=C(C=C(C=C1)Br)C

Molecular Processing

Molecular formula
C8H9Br
Molecular weight
185.06
Exact mass
183.9888
XLogP
3.07
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
43.62

Supplementary Information

InChIKey: QOGHRLGTXVMRLM-UHFFFAOYSA-N
Synonyms
4-Bromo-o-xylene4-Bromo-1,2-dimethylbenzene583-71-13,4-DimethylbromobenzeneBenzene, 4-bromo-1,2-dimethyl-3,4-Xylyl bromide4-Bromo-1,2-xylene3,4-Dimethylphenyl bromide4-bromo-o-xylolAI3-07015X45692CHP5NSC-60147DTXSID9074640RefChem:98169DTXCID1042364209-518-31-Bromo-3,4-dimethylbenzeneo-Xylene, 4-bromo-4-Bromo-1,2-dimethyl-benzene4-Bromo-ortho-xyleneMFCD00000086EINECS 209-518-3Medetomidine Impurity 31BRN 20403545-bromo-xyleneNSC60147dimethyl-5-bromobenzeneSCHEMBL403364-05-00-00928 (Beilstein Handbook Reference)SCHEMBL456479
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Involved in 35 reactions→

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