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Home Halogens Methyl 5-chloro-2-hydroxybenzoate

Methyl 5-chloro-2-hydroxybenzoate

CAS No.:
4068-78-4
Catalog Number:
AG003RXK
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG003RXK
Chemical Name:
Methyl 5-chloro-2-hydroxybenzoate
CAS Number:
4068-78-4
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00016461
IUPAC Name:
methyl 5-chloro-2-hydroxybenzoate
InChI:
InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
InChI Key:
KJWHRMZKJXOWFC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1O
EC Number:
223-778-5
NSC Number:
85495
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Methyl salicylate: a reactive chemical warfare agent surrogate to detect reaction with hypochlorite. ACS applied materials & interfaces 20111101
Properties