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Home Other Building Blocks (3-Chloro-1-benzothien-2-yl)methanol

(3-Chloro-1-benzothien-2-yl)methanol

CAS No.:
124168-55-4
Catalog Number:
AG000LMJ
Molecular Formula:
C9H7ClOS
Molecular Weight:
198.6693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$93
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Product Description
Catalog Number:
AG000LMJ
Chemical Name:
(3-Chloro-1-benzothien-2-yl)methanol
CAS Number:
124168-55-4
Molecular Formula:
C9H7ClOS
Molecular Weight:
198.6693
MDL Number:
MFCD03229984
IUPAC Name:
(3-chloro-1-benzothiophen-2-yl)methanol
InChI:
InChI=1S/C9H7ClOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2
InChI Key:
CPGKUHFGNJQXKY-UHFFFAOYSA-N
SMILES:
OCc1sc2c(c1Cl)cccc2
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.991g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.664g/mol
Monoisotopic Mass:
197.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties