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Home Other Building Blocks 2-Chloro-4-methoxybenzothiazole

2-Chloro-4-methoxybenzothiazole

CAS No.:
3507-27-5
Catalog Number:
AG00C7C0
Molecular Formula:
C8H6ClNOS
Molecular Weight:
199.6573
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$162
- +
1g
97%
1 week
United States
$524
- +
Product Description
Catalog Number:
AG00C7C0
Chemical Name:
2-Chloro-4-methoxybenzothiazole
CAS Number:
3507-27-5
Molecular Formula:
C8H6ClNOS
Molecular Weight:
199.6573
MDL Number:
MFCD04448819
IUPAC Name:
2-chloro-4-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C8H6ClNOS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3
InChI Key:
MCCTXJVKIFYBJV-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(s2)Cl
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.652g/mol
Monoisotopic Mass:
198.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties