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18365-42-9

18365-42-9 | 2-Propenal, 2-chloro-3-phenyl-

CAS No: 18365-42-9 Catalog No: AG0027SK MDL No:MFCD00077440

Product Description

Catalog Number:
AG0027SK
Chemical Name:
2-Propenal, 2-chloro-3-phenyl-
CAS Number:
18365-42-9
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD00077440
IUPAC Name:
(Z)-2-chloro-3-phenylprop-2-enal
InChI:
InChI=1S/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChI Key:
SARRRAKOHPKFBW-TWGQIWQCSA-N
SMILES:
O=CC(=Cc1ccccc1)Cl
EC Number:
242-237-4

Properties

Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
166.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.604g/mol
Monoisotopic Mass:
166.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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