Home Nitriles 3-(4-Bromophenyl)propanenitrile

3-(4-Bromophenyl)propanenitrile

CAS No.:
57775-08-3
Catalog Number:
AG00EA1W
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$244
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Product Description
Catalog Number:
AG00EA1W
Chemical Name:
3-(4-Bromophenyl)propanenitrile
CAS Number:
57775-08-3
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD01310795
IUPAC Name:
3-(4-bromophenyl)propanenitrile
InChI:
InChI=1S/C9H8BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2
InChI Key:
QAWLKTDBUQOFEF-UHFFFAOYSA-N
SMILES:
N#CCCc1ccc(cc1)Br
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties