Home Carboxes 102151-33-7
102151-33-7,MFCD03093073
Catalog No.:AA0006OF
102151-33-7 | 3-Chloro-4-methoxybenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$14.00   $10.00
- +
5g
96%
in stock  
$28.00   $20.00
- +
25g
96%
in stock  
$114.00   $80.00
- +
100g
96%
in stock  
$381.00   $267.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0006OF
Chemical Name:
3-Chloro-4-methoxybenzonitrile
CAS Number:
102151-33-7
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD03093073
IUPAC Name:
3-chloro-4-methoxybenzonitrile
InChI:
InChI=1S/C8H6ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI Key:
SUFOLDHSHRVSQV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)OC
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:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
3-Chloro-4-methoxybenzonitrile 
102151-33-7 
SCHEMBL524339 
3-chloro-4-methoxy-benzonitrile 
CTK3J4649 
KS-00000EIA 
DTXSID90401926 
ZLD0605 
OTAVA-BB 1510391 
SUFOLDHSHRVSQV-UHFFFAOYSA-N 
ACN-S004028 
ZINC2598117 
Benzonitrile, 3-chloro-4-methoxy- 
0570AA 
ANW-59163 
SBB064607 
3-Chloro-4-methoxybenzonitrile, 97% 
AKOS008968436 
AS03721 
CM13017 
CS-W017823 
MCULE-3456927259 
TRA0022292 
MFCD03093073 
VZ26642 
3-chloranyl-4-methoxy-benzenecarbonitrile 
AJ-43790 
AK-45330 
AN-34283 
CJ-10445 
DS-13510 
SC-00101 
SY018584 
AB0061146 
3-chloro-4-methoxybenzenecarbonitrile 
RT-002116 
ST2417634 
FT-0615414 
ST50408397 
K-0288 
MFCD03093073 (97+%) 
151C337 
A800528 
I01-5248 
J-000636 
PubChem3661 
C8H6ClNO 
ZINC02598117 
CID4323105 
zlchem 1137 
ACMC-20a6ct 
AC1N8QV4 
KSC494M4T 
Literature
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