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84194-36-5

84194-36-5 | 2-Chloro-4-fluorobenzaldehyde

CAS No: 84194-36-5 Catalog No: AG00337U MDL No:MFCD00042527

Product Description

Catalog Number:
AG00337U
Chemical Name:
2-Chloro-4-fluorobenzaldehyde
CAS Number:
84194-36-5
Molecular Formula:
C7H4ClFO
Molecular Weight:
158.5575
MDL Number:
MFCD00042527
IUPAC Name:
2-chloro-4-fluorobenzaldehyde
InChI:
InChI=1S/C7H4ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChI Key:
KMQWNQKESAHDKD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)F

Properties

Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.993g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.556g/mol
Monoisotopic Mass:
157.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Literature

Title Journal
Trimethyl 5-(2-chloro-4-fluoro-phen-yl)-2-phenyl-pyrrolidine-2,3,4-tricarboxyl-ate. Acta crystallographica. Section E, Structure reports online 20091101

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