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101048-77-5,MFCD18392411
Catalog No.:AA0003K0
101048-77-5 | 2-Chloro-4-formylbenzonitrile
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250mg
95%
1 week  
$347.00   $243.00
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1g
95%
1 week  
$778.00   $545.00
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Technical Information
Catalog Number:
AA0003K0
Chemical Name:
2-Chloro-4-formylbenzonitrile
CAS Number:
101048-77-5
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD18392411
IUPAC Name:
2-chloro-4-formylbenzonitrile
InChI:
InChI=1S/C8H4ClNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,5H
InChI Key:
GZELPDCDUYPUTD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Cl)C#N
Properties
Computed Properties
 
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
2-Chloro-4-formylbenzonitrile 
101048-77-5 
3-chloro-4-cyanobenzaldehyde 
SCHEMBL5093266 
GZELPDCDUYPUTD-UHFFFAOYSA-N 
Benzonitrile, 2-chloro-4-formyl- 
MFCD18392411 
ZINC79045430 
CS-0047137 
3411-03-8 
Literature
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