Home Halogens 1-[3-bromo-4-(hydroxymethyl)phenyl]ethan-1-one

1-[3-bromo-4-(hydroxymethyl)phenyl]ethan-1-one

CAS No.:
1418144-62-3
Catalog Number:
AG00ILOV
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
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Product Description
Catalog Number:
AG00ILOV
Chemical Name:
1-[3-bromo-4-(hydroxymethyl)phenyl]ethan-1-one
CAS Number:
1418144-62-3
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD23381363
IUPAC Name:
1-[3-bromo-4-(hydroxymethyl)phenyl]ethanone
InChI:
InChI=1S/C9H9BrO2/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4,11H,5H2,1H3
InChI Key:
GADHCGDXVNYHTF-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1Br)C(=O)C
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:
1  
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties