Home Nitriles 2-Bromo-3-phenylpropanenitrile

2-Bromo-3-phenylpropanenitrile

CAS No.:
62448-27-5
Catalog Number:
AG00EQTU
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$119
- +
1g
95%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG00EQTU
Chemical Name:
2-Bromo-3-phenylpropanenitrile
CAS Number:
62448-27-5
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD06655784
IUPAC Name:
2-bromo-3-phenylpropanenitrile
InChI:
InChI=1S/C9H8BrN/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9H,6H2
InChI Key:
ZCCNNBFUMWEZGE-UHFFFAOYSA-N
SMILES:
BrC(Cc1ccccc1)C#N
Properties
Complexity:
152  
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:
2.8  
Properties