CCCCC1=CC=C(C=C1)Br
CAS: 41492-05-1
Name: 1-bromo-4-butylbenzene
SMILES: CCCCC1=CC=C(C=C1)Br

Molecular Processing

Molecular formula
C10H13Br
Molecular weight
213.12
Exact mass
212.0201
XLogP
3.79
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
3
Heavy atoms
11
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
0.4
Molar refractivity
52.75

Supplementary Information

InChIKey: BRGVKVZXDWGJBX-UHFFFAOYSA-N
Synonyme
1-Bromo-4-butylbenzene41492-05-1DTXSID10334540RefChem:430620DTXCID20285630472-210-41-Bromo-4-n-Butylbenzene4-Bromo-n-butylbenzeneMFCD000409344-n-ButylbromobenzeneBenzene, 1-bromo-4-butyl-P-BROMOBUTYLBENZENE1-Bromo-4-ButYl-Benzene4-butyl-bromobenzenep-bromo-n-butylbenzene4-1-Butylbromobenzene4-(butyl)phenylbromide1-bromo-4-butyl benzene1-Bromo-4-butylbenzene #4-(But-1-yl)bromobenzeneSCHEMBL687846SCHEMBL10050111-Bromo-4-butylbenzene, 97%SCHEMBL18378139SCHEMBL21268276SCHEMBL27464296SCHEMBL28144855SCHEMBL28697416STR02736AKOS005256901
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