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1309932-83-9

1309932-83-9 | 1-Bromo-4-iso-butyloxy-2-methylbenzene

CAS No: 1309932-83-9 Catalog No: AG01ES49 MDL No:

Product Description

Catalog Number:
AG01ES49
Chemical Name:
1-Bromo-4-iso-butyloxy-2-methylbenzene
CAS Number:
1309932-83-9
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
1-bromo-2-methyl-4-(2-methylpropoxy)benzene
InChI:
InChI=1S/C11H15BrO/c1-8(2)7-13-10-4-5-11(12)9(3)6-10/h4-6,8H,7H2,1-3H3
InChI Key:
ZFDWVEDPWDHLBS-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(c(c1)C)Br)C

Properties

Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.144g/mol
Monoisotopic Mass:
242.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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