Home Nitriles 3-Chloro-5-methyl-4-hydroxybenzonitrile

3-Chloro-5-methyl-4-hydroxybenzonitrile

CAS No.:
173900-45-3
Catalog Number:
AG001Z9S
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$62
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG001Z9S
Chemical Name:
3-Chloro-5-methyl-4-hydroxybenzonitrile
CAS Number:
173900-45-3
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD08689583
IUPAC Name:
3-chloro-4-hydroxy-5-methylbenzonitrile
InChI:
InChI=1S/C8H6ClNO/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3,11H,1H3
InChI Key:
LCZDCHYPSLUZID-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)Cl)O
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties