Home Halogens 4-(5-bromo-1,3,4-thiadiazol-2-yl)phenol

4-(5-bromo-1,3,4-thiadiazol-2-yl)phenol

CAS No.:
1343249-15-9
Catalog Number:
AG01B5PT
Molecular Formula:
C8H5BrN2OS
Molecular Weight:
257.1071
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Product Description
Catalog Number:
AG01B5PT
Chemical Name:
4-(5-bromo-1,3,4-thiadiazol-2-yl)phenol
CAS Number:
1343249-15-9
Molecular Formula:
C8H5BrN2OS
Molecular Weight:
257.1071
MDL Number:
MFCD18345051
IUPAC Name:
4-(5-bromo-1,3,4-thiadiazol-2-yl)phenol
InChI:
InChI=1S/C8H5BrN2OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H
InChI Key:
UCOHTXUDPYYVQF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nnc(s1)Br
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.931g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.105g/mol
Monoisotopic Mass:
255.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties