Home Carboxes 1021871-35-1
1021871-35-1,MFCD18392447
Catalog No.:AA0006RT
1021871-35-1 | 3-Chloro-5-(hydroxymethyl)benzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$86.00   $60.00
- +
250mg
95%
in stock  
$140.00   $98.00
- +
1g
95%
in stock  
$287.00   $201.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0006RT
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
Computed 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  

Synonyms
 
3-chloro-5-(hydroxymethyl)benzonitrile 
1021871-35-1 
ZINC91692991 
3-Chloro-5-hydroxymethyl-benzonitrile 
AKOS025402594 
5-chloro-3-(hydroxymethyl)benzonitrile 
CS-W000627 
DS-8213 
KS-0000092U 
AC-29803 
AK173053 
DA-48320 
3-CHLORO-5-CYANOBENZYL ALCOHOL 
SC-66458 
SY028298 
FT-0759599 
MFCD18392447 (95%) 
X-3237 
C8H6ClNO 
Benzonitrile, 3-chloro-5-(hydroxymethyl)- 
SCHEMBL2160824 
DTXSID60729149 
XNOWXYQLTYKTNC-UHFFFAOYSA-N 
5852AJ 
CL8714 
MFCD18392447 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A
Related Products