Home Halogens 4-(3-bromo-2-oxopropyl)benzonitrile

4-(3-bromo-2-oxopropyl)benzonitrile

CAS No.:
1196532-44-1
Catalog Number:
AG01C4O2
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
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Product Description
Catalog Number:
AG01C4O2
Chemical Name:
4-(3-bromo-2-oxopropyl)benzonitrile
CAS Number:
1196532-44-1
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD28808405
IUPAC Name:
4-(3-bromo-2-oxopropyl)benzonitrile
InChI:
InChI=1S/C10H8BrNO/c11-6-10(13)5-8-1-3-9(7-12)4-2-8/h1-4H,5-6H2
InChI Key:
PBMSCCKUMQEKJD-UHFFFAOYSA-N
SMILES:
BrCC(=O)Cc1ccc(cc1)C#N
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties