Home Nitriles 3-Chloro-5-(hydroxymethyl)benzonitrile

3-Chloro-5-(hydroxymethyl)benzonitrile

CAS No.:
1021871-35-1
Catalog Number:
AG0006UL
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$257
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Product Description
Catalog Number:
AG0006UL
Chemical Name:
3-Chloro-5-(hydroxymethyl)benzonitrile
CAS Number:
1021871-35-1
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD18392447
IUPAC Name:
3-chloro-5-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6ClNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2
InChI Key:
XNOWXYQLTYKTNC-UHFFFAOYSA-N
SMILES:
OCc1cc(C#N)cc(c1)Cl
Properties
Complexity:
174  
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:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties