Home Halogens 4-bromo-5-iodothiophene-3-carboxylic acid

4-bromo-5-iodothiophene-3-carboxylic acid

CAS No.:
57233-96-2
Catalog Number:
AG01BRYV
Molecular Formula:
C5H2BrIO2S
Molecular Weight:
332.9416
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Product Description
Catalog Number:
AG01BRYV
Chemical Name:
4-bromo-5-iodothiophene-3-carboxylic acid
CAS Number:
57233-96-2
Molecular Formula:
C5H2BrIO2S
Molecular Weight:
332.9416
MDL Number:
MFCD30730523
IUPAC Name:
4-bromo-5-iodothiophene-3-carboxylic acid
InChI:
InChI=1S/C5H2BrIO2S/c6-3-2(5(8)9)1-10-4(3)7/h1H,(H,8,9)
InChI Key:
XHFASLQEXCVAMY-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(c1Br)I
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.8g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
332.937g/mol
Monoisotopic Mass:
331.8g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties