C1=CC(=CC=C1CCl)Br
CAS: 589-17-3
Name: 1-bromo-4-(chloromethyl)benzene
SMILES: C1=CC(=CC=C1CCl)Br

Molecular Processing

Molecular formula
C7H6BrCl
Molecular weight
205.48
Exact mass
203.9341
XLogP
3.19
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
43.7

Supplementary Information

InChIKey: BSIIGUGKOPPTPZ-UHFFFAOYSA-N
Synonyme
1-Bromo-4-(chloromethyl)benzene4-Bromobenzyl Chloride589-17-3p-Bromobenzyl chlorideBenzene, 1-bromo-4-(chloromethyl)-CCRIS 5105EINECS 209-638-66WI1338739DTXSID20207630P-BROMOBENZYL CHLORIDE [MI]P-BROMO-.ALPHA.-CHLOROTOLUENE.ALPHA.-CHLORO-4-BROMOTOLUENETOLUENE, P-BROMO-.ALPHA.-CHLORO-P-BROMO-ALPHA-CHLOROTOLUENEalpha-chloro-4-bromotolueneRefChem:858004DTXCID70130121TOLUENE, P-BROMO-ALPHA-CHLORO-InChI=1/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H4-Bromo-alpha-chlorotoluene4-bromobenzylchlorideMFCD00040867p-BrombenzylchloridUNII-6WI13387394-bromo-benzylchloride1-bromo-4-chlormethylbenzeneSCHEMBL9260101-bromo-4-chloromethyl-benzeneSCHEMBL10579921SCHEMBL28244638
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