Home Halogens 3-(bromomethyl)-5-methylphenyl acetate

3-(bromomethyl)-5-methylphenyl acetate

CAS No.:
62358-68-3
Catalog Number:
AG01DWJN
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
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Product Description
Catalog Number:
AG01DWJN
Chemical Name:
3-(bromomethyl)-5-methylphenyl acetate
CAS Number:
62358-68-3
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
[3-(bromomethyl)-5-methylphenyl] acetate
InChI:
InChI=1S/C10H11BrO2/c1-7-3-9(6-11)5-10(4-7)13-8(2)12/h3-5H,6H2,1-2H3
InChI Key:
PNDWCHUISBCRIV-UHFFFAOYSA-N
SMILES:
BrCc1cc(OC(=O)C)cc(c1)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties