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14650-19-2

14650-19-2 | Benzenepropanoic acid, 2-chloro-α-cyano-

CAS No: 14650-19-2 Catalog No: AG001E2X MDL No:MFCD00021688

Product Description

Catalog Number:
AG001E2X
Chemical Name:
Benzenepropanoic acid, 2-chloro-α-cyano-
CAS Number:
14650-19-2
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD00021688
IUPAC Name:
3-(2-chlorophenyl)-2-cyanopropanoic acid
InChI:
InChI=1S/C10H8ClNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5H2,(H,13,14)
InChI Key:
KSLANAUEYUSFCF-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)O)Cc1ccccc1Cl
NSC Number:
157430

Properties

Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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