Home Other Building Blocks 2-Bromophenyl isocyanate

2-Bromophenyl isocyanate

CAS No.:
1592-00-3
Catalog Number:
AG003B6O
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$57
- +
25g
95%
In Stock USA
United States
$200
- +
100g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003B6O
Chemical Name:
2-Bromophenyl isocyanate
CAS Number:
1592-00-3
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
MDL Number:
MFCD00001995
IUPAC Name:
1-bromo-2-isocyanatobenzene
InChI:
InChI=1S/C7H4BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key:
GOOVAYJIVMBWPP-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1Br
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.948g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.019g/mol
Monoisotopic Mass:
196.948g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Selective synthesis of a [3]rotaxane consisting of size-complementary components and its stepwise deslippage. Organic letters 20120504
Properties