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Home Carboxys 5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid

5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid

CAS No.:
50451-84-8
Catalog Number:
AG00D9MJ
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$88
- +
1g
95%
In Stock USA
United States
$213
- +
5g
95%
In Stock USA
United States
$850
- +
10g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00D9MJ
Chemical Name:
5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid
CAS Number:
50451-84-8
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
MDL Number:
MFCD03407361
IUPAC Name:
5-chloro-3-methyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H7ClO2S/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
KEYCXZNZFABITO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(C)c(s2)C(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.674g/mol
Monoisotopic Mass:
225.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties