Home Other Building Blocks 2-(4-BROMOTHIOPHEN-3-YL)-2,2-DIFLUOROACETIC ACID

2-(4-BROMOTHIOPHEN-3-YL)-2,2-DIFLUOROACETIC ACID

CAS No.:
1518974-67-8
Catalog Number:
AG01DVID
Molecular Formula:
C6H3BrF2O2S
Molecular Weight:
257.0526
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Product Description
Catalog Number:
AG01DVID
Chemical Name:
2-(4-BROMOTHIOPHEN-3-YL)-2,2-DIFLUOROACETIC ACID
CAS Number:
1518974-67-8
Molecular Formula:
C6H3BrF2O2S
Molecular Weight:
257.0526
MDL Number:
MFCD23730968
IUPAC Name:
2-(4-bromothiophen-3-yl)-2,2-difluoroacetic acid
InChI:
InChI=1S/C6H3BrF2O2S/c7-4-2-12-1-3(4)6(8,9)5(10)11/h1-2H,(H,10,11)
InChI Key:
IVJWIMYOJWKHOS-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cscc1Br)(F)F
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.901g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.049g/mol
Monoisotopic Mass:
255.901g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties