Home Nitriles 5-Bromo-2-isopropoxybenzonitrile

5-Bromo-2-isopropoxybenzonitrile

CAS No.:
515832-52-7
Catalog Number:
AG00D8HE
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$157
- +
10g
97%
In Stock USA
United States
$288
- +
25g
97%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00D8HE
Chemical Name:
5-Bromo-2-isopropoxybenzonitrile
CAS Number:
515832-52-7
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
MDL Number:
MFCD02257441
IUPAC Name:
5-bromo-2-propan-2-yloxybenzonitrile
InChI:
InChI=1S/C10H10BrNO/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3
InChI Key:
YRPPYKWHWKFYGJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1OC(C)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties