Home Halogens 2-bromo-5-(4-methoxyphenyl)-1,3,4-thiadiazole

2-bromo-5-(4-methoxyphenyl)-1,3,4-thiadiazole

CAS No.:
57709-54-3
Catalog Number:
AG01C3R1
Molecular Formula:
C9H7BrN2OS
Molecular Weight:
271.1337
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Product Description
Catalog Number:
AG01C3R1
Chemical Name:
2-bromo-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CAS Number:
57709-54-3
Molecular Formula:
C9H7BrN2OS
Molecular Weight:
271.1337
MDL Number:
MFCD08436699
IUPAC Name:
2-bromo-5-(4-methoxyphenyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C9H7BrN2OS/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3
InChI Key:
CSJMDWGXEYTNIH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(s1)Br
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.946g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.132g/mol
Monoisotopic Mass:
269.946g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties