Home Other Building Blocks (5,7-difluorobenzo[b]thiophen-2-yl)methanol

(5,7-difluorobenzo[b]thiophen-2-yl)methanol

CAS No.:
1400702-19-3
Catalog Number:
AG01BJ8K
Molecular Formula:
C9H6F2OS
Molecular Weight:
200.2051
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Product Description
Catalog Number:
AG01BJ8K
Chemical Name:
(5,7-difluorobenzo[b]thiophen-2-yl)methanol
CAS Number:
1400702-19-3
Molecular Formula:
C9H6F2OS
Molecular Weight:
200.2051
MDL Number:
MFCD24386183
IUPAC Name:
(5,7-difluoro-1-benzothiophen-2-yl)methanol
InChI:
InChI=1S/C9H6F2OS/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-3,12H,4H2
InChI Key:
XTSSRKVRAGMBEJ-UHFFFAOYSA-N
SMILES:
OCc1cc2c(s1)c(F)cc(c2)F
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.011g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.203g/mol
Monoisotopic Mass:
200.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties