Home Halogens [2-bromo-4-(ethylsulfanyl)phenyl]methanol

[2-bromo-4-(ethylsulfanyl)phenyl]methanol

CAS No.:
1691756-22-5
Catalog Number:
AG01BVL6
Molecular Formula:
C9H11BrOS
Molecular Weight:
247.1520
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Product Description
Catalog Number:
AG01BVL6
Chemical Name:
[2-bromo-4-(ethylsulfanyl)phenyl]methanol
CAS Number:
1691756-22-5
Molecular Formula:
C9H11BrOS
Molecular Weight:
247.1520
MDL Number:
MFCD30476462
IUPAC Name:
(2-bromo-4-ethylsulfanylphenyl)methanol
InChI:
InChI=1S/C9H11BrOS/c1-2-12-8-4-3-7(6-11)9(10)5-8/h3-5,11H,2,6H2,1H3
InChI Key:
BKBQHNXEQYKTHE-UHFFFAOYSA-N
SMILES:
CCSc1ccc(c(c1)Br)CO
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.971g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.15g/mol
Monoisotopic Mass:
245.971g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties