Home Halogens Phenol, 4-bromo-2-methyl-, acetate

Phenol, 4-bromo-2-methyl-, acetate

CAS No.:
52727-92-1
Catalog Number:
AG01AF8S
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AF8S
Chemical Name:
Phenol, 4-bromo-2-methyl-, acetate
CAS Number:
52727-92-1
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD27500762
IUPAC Name:
(4-bromo-2-methylphenyl) acetate
InChI:
InChI=1S/C9H9BrO2/c1-6-5-8(10)3-4-9(6)12-7(2)11/h3-5H,1-2H3
InChI Key:
JWQZSPJVILXASP-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1C)Br
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties