Home Halogens 2-(4-bromophenyl)propane-1,2-diol

2-(4-bromophenyl)propane-1,2-diol

CAS No.:
171417-14-4
Catalog Number:
AG01BEL0
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
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Product Description
Catalog Number:
AG01BEL0
Chemical Name:
2-(4-bromophenyl)propane-1,2-diol
CAS Number:
171417-14-4
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
MDL Number:
MFCD24287562
IUPAC Name:
2-(4-bromophenyl)propane-1,2-diol
InChI:
InChI=1S/C9H11BrO2/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,11-12H,6H2,1H3
InChI Key:
QSSPOQOHIKXTNW-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)Br)(O)C
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.994g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.089g/mol
Monoisotopic Mass:
229.994g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties