Home Other Building Blocks 2-(1,3-benzothiazol-2-yl)-2,2-difluoroacetic acid

2-(1,3-benzothiazol-2-yl)-2,2-difluoroacetic acid

CAS No.:
15208-44-3
Catalog Number:
AG01A4LT
Molecular Formula:
C9H5F2NO2S
Molecular Weight:
229.2033
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Product Description
Catalog Number:
AG01A4LT
Chemical Name:
2-(1,3-benzothiazol-2-yl)-2,2-difluoroacetic acid
CAS Number:
15208-44-3
Molecular Formula:
C9H5F2NO2S
Molecular Weight:
229.2033
MDL Number:
MFCD23701924
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-2,2-difluoroacetic acid
InChI:
InChI=1S/C9H5F2NO2S/c10-9(11,8(13)14)7-12-5-3-1-2-4-6(5)15-7/h1-4H,(H,13,14)
InChI Key:
DGJHHJIQYJOCRB-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1nc2c(s1)cccc2)(F)F
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.001g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.201g/mol
Monoisotopic Mass:
229.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties