Home Halogens 2-(5-bromothiophen-2-yl)pyrimidine-5-carboxylic acid

2-(5-bromothiophen-2-yl)pyrimidine-5-carboxylic acid

CAS No.:
1343187-78-9
Catalog Number:
AG01C397
Molecular Formula:
C9H5BrN2O2S
Molecular Weight:
285.1172
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Product Description
Catalog Number:
AG01C397
Chemical Name:
2-(5-bromothiophen-2-yl)pyrimidine-5-carboxylic acid
CAS Number:
1343187-78-9
Molecular Formula:
C9H5BrN2O2S
Molecular Weight:
285.1172
MDL Number:
MFCD20293562
IUPAC Name:
2-(5-bromothiophen-2-yl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C9H5BrN2O2S/c10-7-2-1-6(15-7)8-11-3-5(4-12-8)9(13)14/h1-4H,(H,13,14)
InChI Key:
VNZVRPJDKCJJEH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)c1ccc(s1)Br
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.926g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.115g/mol
Monoisotopic Mass:
283.926g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties