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46125-42-2,MFCD01569392
Catalog No.:AA003I16
46125-42-2 | 3-(4-Chlorophenoxy)propanenitrile
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Purity
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Price(USD)
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1g
97%
in stock  
$29.00   $20.00
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5g
97%
in stock  
$72.00   $50.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003I16
Chemical Name:
3-(4-Chlorophenoxy)propanenitrile
CAS Number:
46125-42-2
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD01569392
IUPAC Name:
3-(4-chlorophenoxy)propanenitrile
InChI:
InChI=1S/C9H8ClNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChI Key:
BGEZBXFEROYDPF-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1)Cl
NSC Number:
79334
Properties
Computed Properties
 
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3-(4-chlorophenoxy)propanenitrile 
46125-42-2 
ACMC-20anka 
AC1Q3ONA 
WLN: NC2OR DG 
AC1L3WP9 
SCHEMBL8415070 
CTK4I9184 
DTXSID80196738 
BGEZBXFEROYDPF-UHFFFAOYSA-N 
KS-00002A8C 
ZINC1724069 
3-(4-Chlorophenoxy)propionitrile 
CCG-40366 
MFCD01569392 
NSC-79334 
Propanenitrile,3-(4-chlorophenoxy)- 
SBB089837 
AKOS000167764 
MCULE-6167580820 
PS-4624 
3-(4-Chlorophenoxy)propionitrile, 97% 
LS-124914 
Propionitrile, 3-(p-chlorophenoxy)- 
TC-170209 
ST51038519 
Propanenitrile, 3-(4-chlorophenoxy)- (9CI) 
I14-49401 
C9-H8-Cl-N-O 
CID96550 
AR-1E6842 
4-06-00-00851 (Beilstein Handbook Reference) 
493-72-1 
3-(p-Chlorophenoxy)propionitrile 
NSC 79334 
Propanenitrile, 3-(4-chlorophenoxy)- 
BRN 2328271 
AI3-16700 
NSC79334 
Literature
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