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132312-53-9 | 1-Bromo-3-methyl-4-n-propyloxybenzene
CAS No: 132312-53-9 Catalog No: AG01ES79 MDL No:
Product Description
Catalog Number:
AG01ES79
Chemical Name:
1-Bromo-3-methyl-4-n-propyloxybenzene
CAS Number:
132312-53-9
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
IUPAC Name:
4-bromo-2-methyl-1-propoxybenzene
InChI:
InChI=1S/C10H13BrO/c1-3-6-12-10-5-4-9(11)7-8(10)2/h4-5,7H,3,6H2,1-2H3
InChI Key:
USXYPUDNQMEFOH-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1C)Br
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.117g/mol
Monoisotopic Mass:
228.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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