Home Halogens 4-acetyl-3-chlorobenzonitrile

4-acetyl-3-chlorobenzonitrile

CAS No.:
1096666-21-5
Catalog Number:
AG01BFSA
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BFSA
Chemical Name:
4-acetyl-3-chlorobenzonitrile
CAS Number:
1096666-21-5
MDL Number:
MFCD26806424
IUPAC Name:
4-acetyl-3-chlorobenzonitrile
InChI:
InChI=1S/C9H6ClNO/c1-6(12)8-3-2-7(5-11)4-9(8)10/h2-4H,1H3
InChI Key:
PBBNRCGQFNRSPD-UHFFFAOYSA-N
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties