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99857-52-0 | 1-Bromo-2-iso-butyloxy-5-methylbenzene
CAS No: 99857-52-0 Catalog No: AG01F09I MDL No:
Product Description
Catalog Number:
AG01F09I
Chemical Name:
1-Bromo-2-iso-butyloxy-5-methylbenzene
CAS Number:
99857-52-0
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
2-bromo-4-methyl-1-(2-methylpropoxy)benzene
InChI:
InChI=1S/C11H15BrO/c1-8(2)7-13-11-5-4-9(3)6-10(11)12/h4-6,8H,7H2,1-3H3
InChI Key:
YVHDBWCXOLXDDD-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1Br)C)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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